[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride

C109H83Cl2F12N8O20S- — CID 172982593

IUPAC[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride
SMILESCC(=O)C(=O)O/N=C/c1cccc[n+]1C.COc1cccc(OC)c1C(=O)O/N=C(\C(C)=O)c1ccccc1.O=C(N/C(=N\OC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccc1.O=C(ON=C(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(ON=C(c1ccccc1)c1ccccc1)c1ccccc1.O=C(ON=C1Cc2ccccc2C1)c1cccc(Cl)c1.O=S(=O)([O-])C(F)(F)F.[Cl-]
InChIInChI=1S/C22H13F6NO2.C22H15F3N2O3.C20H15NO2.C18H17NO5.C16H12ClNO2.C10H11N2O3.CHF3O3S.ClH/c23-21(24,25)17-11-16(12-18(13-17)22(26,27)28)20(30)31-29-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15;23-22(24,25)18-13-7-12-17(14-18)19(26-20(28)15-8-3-1-4-9-15)27-30-21(29)16-10-5-2-6-11-16;22-20(18-14-8-3-9-15-18)23-21-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17;1-12(20)17(13-8-5-4-6-9-13)19-24-18(21)16-14(22-2)10-7-11-15(16)23-3;17-14-7-3-6-13(8-14)16(19)20-18-15-9-11-4-1-2-5-12(11)10-15;1-8(13)10(14)15-11-7-9-5-3-4-6-12(9)2;2-1(3,4)8(5,6)7;/h1-13H;1-14H,(H,26,27,28);1-15H;4-11H,1-3H3;1-8H,9-10H2;3-7H,1-2H3;(H,5,6,7);1H/q;;;;;+1;;/p-2/b;;;19-17+;;11-7+;;
InChIKeyZOODVKMTXIAVEZ-DDJAKDLASA-L
MW2155.85 g/mol
LogP18.82
Rot. Bonds23

About [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride

[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride (PubChem CID 172982593) has the molecular formula C109H83Cl2F12N8O20S- and a molecular weight of 2155.85 g/mol. Its IUPAC name is [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride.

Molecular Properties

Compound Name[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride
PubChem CID172982593
Molecular FormulaC109H83Cl2F12N8O20S-
Molecular Weight2155.85 g/mol
Exact Mass2153.46
IUPAC Name[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride
SMILESCC(=O)C(=O)O/N=C/c1cccc[n+]1C.COc1cccc(OC)c1C(=O)O/N=C(\C(C)=O)c1ccccc1.O=C(N/C(=N\OC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccc1.O=C(ON=C(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(ON=C(c1ccccc1)c1ccccc1)c1ccccc1.O=C(ON=C1Cc2ccccc2C1)c1cccc(Cl)c1.O=S(=O)([O-])C(F)(F)F.[Cl-]
InChIInChI=1S/C22H13F6NO2.C22H15F3N2O3.C20H15NO2.C18H17NO5.C16H12ClNO2.C10H11N2O3.CHF3O3S.ClH/c23-21(24,25)17-11-16(12-18(13-17)22(26,27)28)20(30)31-29-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15;23-22(24,25)18-13-7-12-17(14-18)19(26-20(28)15-8-3-1-4-9-15)27-30-21(29)16-10-5-2-6-11-16;22-20(18-14-8-3-9-15-18)23-21-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17;1-12(20)17(13-8-5-4-6-9-13)19-24-18(21)16-14(22-2)10-7-11-15(16)23-3;17-14-7-3-6-13(8-14)16(19)20-18-15-9-11-4-1-2-5-12(11)10-15;1-8(13)10(14)15-11-7-9-5-3-4-6-12(9)2;2-1(3,4)8(5,6)7;/h1-13H;1-14H,(H,26,27,28);1-15H;4-11H,1-3H3;1-8H,9-10H2;3-7H,1-2H3;(H,5,6,7);1H/q;;;;;+1;;/p-2/b;;;19-17+;;11-7+;;
InChIKeyZOODVKMTXIAVEZ-DDJAKDLASA-L
XLogP18.82
TPSA374.74 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002155.85
LogP ≤ 518.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Analyze [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;[(E)-(4-fluorophenyl)methylideneamino] benzoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;[(E)-1-phenylethylideneamino] cyclohexanecarboxylate;[(E)-[phenyl(pyridin-2-yl)methylidene]amino] benzoate
CID 172980613
[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;[(Z)-[cyano(phenyl)methylidene]amino] 9-oxofluorene-4-carboxylate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;[(E)-1-phenylethylideneamino] naphthalene-1-carboxylate
CID 172956828
[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;[(Z)-[cyano(phenyl)methylidene]amino] 9-oxofluorene-4-carboxylate;[(E)-(4-fluorophenyl)methylideneamino] benzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(E)-1-phenylethylideneamino] naphthalene-1-carboxylate;[(E)-pyridin-3-ylmethylideneamino] 2-methylpropanoate;trifluoromethanesulfonate
CID 172960397
(1,1-dichloropropan-2-ylideneamino) 3-(trifluoromethyl)benzoate
CID 88682315
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 137031731
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510
[2-[[[3-[[3-(trifluoromethyl)benzoyl]amino]benzoyl]hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
CID 126230130
N-[(E)-[5-chloro-2-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126329491
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]acetamide
CID 43895765
[[1-(benzenesulfonyl)piperidin-4-ylidene]amino] 3-chlorobenzoate
CID 1479961
N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 40591844
[4-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3793766

Frequently Asked Questions

What is the IUPAC name of [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride?
The IUPAC name of [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride (CID 172982593) is [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride.
What is the SMILES notation for [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride?
The canonical SMILES for [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride is CC(=O)C(=O)O/N=C/c1cccc[n+]1C.COc1cccc(OC)c1C(=O)O/N=C(\C(C)=O)c1ccccc1.O=C(N/C(=N\OC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1)c1ccccc1.O=C(ON=C(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(ON=C(c1ccccc1)c1ccccc1)c1ccccc1.O=C(ON=C1Cc2ccccc2C1)c1cccc(Cl)c1.O=S(=O)([O-])C(F)(F)F.[Cl-].
What is the InChIKey of [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride?
The InChIKey is ZOODVKMTXIAVEZ-DDJAKDLASA-L. The full InChI is InChI=1S/C22H13F6NO2.C22H15F3N2O3.C20H15NO2.C18H17NO5.C16H12ClNO2.C10H11N2O3.CHF3O3S.ClH/c23-21(24,25)17-11-16(12-18(13-17)22(26,27)28)20(30)31-29-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15;23-22(24,25)18-13-7-12-17(14-18)19(26-20(28)15-8-3-1-4-9-15)27-30-21(29)16-10-5-2-6-11-16;22-20(18-14-8-3-9-15-18)23-21-19(16-10-4-1-5-11-16)17-12-6-2-7-13-17;1-12(20)17(13-8-5-4-6-9-13)19-24-18(21)16-14(22-2)10-7-11-15(16)23-3;17-14-7-3-6-13(8-14)16(19)20-18-15-9-11-4-1-2-5-12(11)10-15;1-8(13)10(14)15-11-7-9-5-3-4-6-12(9)2;2-1(3,4)8(5,6)7;/h1-13H;1-14H,(H,26,27,28);1-15H;4-11H,1-3H3;1-8H,9-10H2;3-7H,1-2H3;(H,5,6,7);1H/q;;;;;+1;;/p-2/b;;;19-17+;;11-7+;;.
What are the key properties of [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride?
[(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride has a molecular weight of 2155.85 g/mol, XLogP of 18.82, 23 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[benzamido-[3-(trifluoromethyl)phenyl]methylidene]amino] benzoate;(benzhydrylideneamino) benzoate;(benzhydrylideneamino) 3,5-bis(trifluoromethyl)benzoate;(1,3-dihydroinden-2-ylideneamino) 3-chlorobenzoate;[(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] 2-oxopropanoate;[(Z)-(2-oxo-1-phenylpropylidene)amino] 2,6-dimethoxybenzoate;trifluoromethanesulfonate;chloride is sourced from PubChem (CID 172982593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).