N-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid)

C112H124F15N19O23 — CID 158714694

IUPACN-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid)
SMILESC.FC(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=CO.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(-n3cccc3)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(CCc3ccncc3)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(N(CC)CC)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(OC3CCCCC3)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C23H24N4O2.C22H27N3O3.C20H20N4O2.C20H26N4O2.C16H16N4O4.4C2HF3O2.CHF3.CH2O2.CH4/c24-22(25)20-2-1-3-21(16-20)29-15-14-27-23(28)19-8-6-17(7-9-19)4-5-18-10-12-26-13-11-18;23-21(24)17-5-4-8-20(15-17)27-14-13-25-22(26)16-9-11-19(12-10-16)28-18-6-2-1-3-7-18;21-19(22)16-4-3-5-18(14-16)26-13-10-23-20(25)15-6-8-17(9-7-15)24-11-1-2-12-24;1-3-24(4-2)17-10-8-15(9-11-17)20(25)23-12-13-26-18-7-5-6-16(14-18)19(21)22;17-15(18)12-2-1-3-14(10-12)24-9-8-19-16(21)11-4-6-13(7-5-11)20(22)23;4*3-2(4,5)1(6)7;2-1(3)4;2-1-3;/h1-3,6-13,16H,4-5,14-15H2,(H3,24,25)(H,27,28);4-5,8-12,15,18H,1-3,6-7,13-14H2,(H3,23,24)(H,25,26);1-9,11-12,14H,10,13H2,(H3,21,22)(H,23,25);5-11,14H,3-4,12-13H2,1-2H3,(H3,21,22)(H,23,25);1-7,10H,8-9H2,(H3,17,18)(H,19,21);4*(H,6,7);1H;1H,(H,2,3);1H4
InChIKeyVNFMFJAWKLGVMW-UHFFFAOYSA-N
MW2389.30 g/mol
LogP17.38
Rot. Bonds40

About N-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid)

N-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid) (PubChem CID 158714694) has the molecular formula C112H124F15N19O23 and a molecular weight of 2389.30 g/mol. Its IUPAC name is N-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound NameN-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid)
PubChem CID158714694
Molecular FormulaC112H124F15N19O23
Molecular Weight2389.30 g/mol
Exact Mass2387.89
IUPAC NameN-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid)
SMILESC.FC(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=CO.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(-n3cccc3)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(CCc3ccncc3)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(N(CC)CC)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(OC3CCCCC3)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C23H24N4O2.C22H27N3O3.C20H20N4O2.C20H26N4O2.C16H16N4O4.4C2HF3O2.CHF3.CH2O2.CH4/c24-22(25)20-2-1-3-21(16-20)29-15-14-27-23(28)19-8-6-17(7-9-19)4-5-18-10-12-26-13-11-18;23-21(24)17-5-4-8-20(15-17)27-14-13-25-22(26)16-9-11-19(12-10-16)28-18-6-2-1-3-7-18;21-19(22)16-4-3-5-18(14-16)26-13-10-23-20(25)15-6-8-17(9-7-15)24-11-1-2-12-24;1-3-24(4-2)17-10-8-15(9-11-17)20(25)23-12-13-26-18-7-5-6-16(14-18)19(21)22;17-15(18)12-2-1-3-14(10-12)24-9-8-19-16(21)11-4-6-13(7-5-11)20(22)23;4*3-2(4,5)1(6)7;2-1(3)4;2-1-3;/h1-3,6-13,16H,4-5,14-15H2,(H3,24,25)(H,27,28);4-5,8-12,15,18H,1-3,6-7,13-14H2,(H3,23,24)(H,25,26);1-9,11-12,14H,10,13H2,(H3,21,22)(H,23,25);5-11,14H,3-4,12-13H2,1-2H3,(H3,21,22)(H,23,25);1-7,10H,8-9H2,(H3,17,18)(H,19,21);4*(H,6,7);1H;1H,(H,2,3);1H4
InChIKeyVNFMFJAWKLGVMW-UHFFFAOYSA-N
XLogP17.38
TPSA700.93 Ų
H-Bond Donors20
H-Bond Acceptors26
Rotatable Bonds40
Heavy Atoms169
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002389.30
LogP ≤ 517.38
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze N-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid) with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid)?
The IUPAC name of N-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid) (CID 158714694) is N-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for N-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for N-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid) is C.FC(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=CO.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(-n3cccc3)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(CCc3ccncc3)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(N(CC)CC)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc(OC3CCCCC3)cc2)c1.[H]/N=C(\N)c1cccc(OCCNC(=O)c2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of N-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid)?
The InChIKey is VNFMFJAWKLGVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2.C22H27N3O3.C20H20N4O2.C20H26N4O2.C16H16N4O4.4C2HF3O2.CHF3.CH2O2.CH4/c24-22(25)20-2-1-3-21(16-20)29-15-14-27-23(28)19-8-6-17(7-9-19)4-5-18-10-12-26-13-11-18;23-21(24)17-5-4-8-20(15-17)27-14-13-25-22(26)16-9-11-19(12-10-16)28-18-6-2-1-3-7-18;21-19(22)16-4-3-5-18(14-16)26-13-10-23-20(25)15-6-8-17(9-7-15)24-11-1-2-12-24;1-3-24(4-2)17-10-8-15(9-11-17)20(25)23-12-13-26-18-7-5-6-16(14-18)19(21)22;17-15(18)12-2-1-3-14(10-12)24-9-8-19-16(21)11-4-6-13(7-5-11)20(22)23;4*3-2(4,5)1(6)7;2-1(3)4;2-1-3;/h1-3,6-13,16H,4-5,14-15H2,(H3,24,25)(H,27,28);4-5,8-12,15,18H,1-3,6-7,13-14H2,(H3,23,24)(H,25,26);1-9,11-12,14H,10,13H2,(H3,21,22)(H,23,25);5-11,14H,3-4,12-13H2,1-2H3,(H3,21,22)(H,23,25);1-7,10H,8-9H2,(H3,17,18)(H,19,21);4*(H,6,7);1H;1H,(H,2,3);1H4.
What are the key properties of N-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid)?
N-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid) has a molecular weight of 2389.30 g/mol, XLogP of 17.38, 40 rotatable bonds, 20 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbamimidoylphenoxy)ethyl]-4-cyclohexyloxybenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(diethylamino)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-nitrobenzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-(2-pyridin-4-ylethyl)benzamide;N-[2-(3-carbamimidoylphenoxy)ethyl]-4-pyrrol-1-ylbenzamide;fluoroform;formic acid;methane;tetrakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158714694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).