1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine

C27H19ClF6N2 — CID 58920305

IUPAC1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine
SMILESFc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(NCc2cccc(F)c2F)c2ccc(Cl)cn2)c1
InChIInChI=1S/C27H19ClF6N2/c28-21-9-10-24(35-16-21)26(14-17-5-2-1-3-6-17,36-15-18-7-4-8-23(30)25(18)31)19-11-20(27(32,33)34)13-22(29)12-19/h1-13,16,36H,14-15H2
InChIKeyBFIDHGWDWUBMBF-UHFFFAOYSA-N
MW520.90 g/mol
LogP7.45
Rot. Bonds7

About 1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine

1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine (PubChem CID 58920305) has the molecular formula C27H19ClF6N2 and a molecular weight of 520.90 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine
PubChem CID58920305
Molecular FormulaC27H19ClF6N2
Molecular Weight520.90 g/mol
Exact Mass520.11
IUPAC Name1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine
SMILESFc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(NCc2cccc(F)c2F)c2ccc(Cl)cn2)c1
InChIInChI=1S/C27H19ClF6N2/c28-21-9-10-24(35-16-21)26(14-17-5-2-1-3-6-17,36-15-18-7-4-8-23(30)25(18)31)19-11-20(27(32,33)34)13-22(29)12-19/h1-13,16,36H,14-15H2
InChIKeyBFIDHGWDWUBMBF-UHFFFAOYSA-N
XLogP7.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.90
LogP ≤ 57.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine 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

1-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-cyclohexylurea
CID 16739945
1-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(4-methylphenyl)ethyl]-3-cyclopentylurea
CID 16740005
5,6-bis(4-chlorophenyl)-N-(4,4-difluorocyclohexyl)pyrazine-2-carbothioamide
CID 46226165
1-[(1S)-1-(5-chloropyridin-2-yl)-2-(2-fluorophenyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea
CID 58920059
1-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]but-3-enyl]-3-cyclopentylurea
CID 58920071
1-[1-(5-Chloropyridin-2-yl)-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]-3-cyclopentylurea
CID 58920153
1-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(4,4-difluorocyclohexyl)urea
CID 58920226
1-Cyclopentyl-3-[alpha-(5-chloro-2-pyridinyl)-alpha-benzyl-3-fluoro-5-(trifluoromethyl)benzyl]urea
CID 58920248
1-[[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]-4,4,4-trifluorobutan-2-ol
CID 58920291
N-[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanamide
CID 58920310
(2S)-1-[[(1S)-1-(5-chloropyridin-2-yl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethyl]amino]propan-2-ol
CID 58920354
(R)-3-((S)-1-(5-chloropyridin-2-yl)-1-(3fluoro-5-(trifluoromethyl)phenyl)-2-phenylethylamino)-1,1,1-trifluoropropan-2-ol
CID 58920359

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine (CID 58920305) is 1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine is Fc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(NCc2cccc(F)c2F)c2ccc(Cl)cn2)c1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine?
The InChIKey is BFIDHGWDWUBMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClF6N2/c28-21-9-10-24(35-16-21)26(14-17-5-2-1-3-6-17,36-15-18-7-4-8-23(30)25(18)31)19-11-20(27(32,33)34)13-22(29)12-19/h1-13,16,36H,14-15H2.
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine?
1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine has a molecular weight of 520.90 g/mol, XLogP of 7.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-[(2,3-difluorophenyl)methyl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-phenylethanamine is sourced from PubChem (CID 58920305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).