1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline

C32H25Br2Cl2F7N2O — CID 172930436

IUPAC1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
SMILESCC(C)(C)c1ccc(Cc2ccc(Cl)cc2Cl)cc1.COc1c(Br)cc(Br)cc1/C=N/Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C17H18Cl2.C15H7Br2F7N2O/c1-17(2,3)14-7-4-12(5-8-14)10-13-6-9-15(18)11-16(13)19;1-27-14-5(2-6(16)3-7(14)17)4-25-26-13-11(20)9(18)8(15(22,23)24)10(19)12(13)21/h4-9,11H,10H2,1-3H3;2-4,26H,1H3/b;25-4+
InChIKeyDPDAWRVQFZJMTM-KEBNBPRXSA-N
MW817.26 g/mol
LogP12.12
Rot. Bonds6

About 1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline

1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline (PubChem CID 172930436) has the molecular formula C32H25Br2Cl2F7N2O and a molecular weight of 817.26 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
PubChem CID172930436
Molecular FormulaC32H25Br2Cl2F7N2O
Molecular Weight817.26 g/mol
Exact Mass813.96
IUPAC Name1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
SMILESCC(C)(C)c1ccc(Cc2ccc(Cl)cc2Cl)cc1.COc1c(Br)cc(Br)cc1/C=N/Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChIInChI=1S/C17H18Cl2.C15H7Br2F7N2O/c1-17(2,3)14-7-4-12(5-8-14)10-13-6-9-15(18)11-16(13)19;1-27-14-5(2-6(16)3-7(14)17)4-25-26-13-11(20)9(18)8(15(22,23)24)10(19)12(13)21/h4-9,11H,10H2,1-3H3;2-4,26H,1H3/b;25-4+
InChIKeyDPDAWRVQFZJMTM-KEBNBPRXSA-N
XLogP12.12
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.26
LogP ≤ 512.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline 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

N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 6323044
N-[[2-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 3110875
2-[(3-aminooxy-5-chloro-2-hydroxyphenyl)methyl]-4-methyl-6-nitrophenol;2-[(3-aminooxy-2,5-dichlorophenyl)methyl]-4-methyl-6-nitrophenol;5-bromo-4-tert-butyl-2-methyl-N-[(E)-pyridin-2-ylmethylideneamino]aniline;2-bromo-4-chloro-6-[(E)-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol;1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5-trifluoro-6-methyl-4-(trifluoromethyl)aniline;2-[[2-methoxy-3-[(2-methoxy-5-methylphenyl)methyl]-5-methylphenyl]methyl]phenol
CID 172959421
N-[(Z)-[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126082411
N-[[3-bromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 5004761
N-[(E)-(5-bromo-2-fluorophenyl)methylideneamino]-2,6-dichloro-4-(trifluoromethyl)aniline
CID 46949285
N-[(E)-(3-chlorophenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 134123964
N-[(Z)-[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
CID 126107706
N-[[2-[(3,4-dichlorophenyl)methoxy]-4-(diethylamino)phenyl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
CID 5004764
N-[(Z)-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 126102184
2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137248796
6-N-(3-chloro-4-methylphenyl)-4-N-[[3,5-dibromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 3103682

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline (CID 172930436) is 1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is CC(C)(C)c1ccc(Cc2ccc(Cl)cc2Cl)cc1.COc1c(Br)cc(Br)cc1/C=N/Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
The InChIKey is DPDAWRVQFZJMTM-KEBNBPRXSA-N. The full InChI is InChI=1S/C17H18Cl2.C15H7Br2F7N2O/c1-17(2,3)14-7-4-12(5-8-14)10-13-6-9-15(18)11-16(13)19;1-27-14-5(2-6(16)3-7(14)17)4-25-26-13-11(20)9(18)8(15(22,23)24)10(19)12(13)21/h4-9,11H,10H2,1-3H3;2-4,26H,1H3/b;25-4+.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline?
1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline has a molecular weight of 817.26 g/mol, XLogP of 12.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-2,4-dichlorobenzene;N-[(E)-(3,5-dibromo-2-methoxyphenyl)methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 172930436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).