N-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide

C23H21Cl2F2N3O — CID 168853649

IUPACN-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESNCCC[C@@H](c1cccc(Cl)c1Cl)N(Cc1cccnc1)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C23H21Cl2F2N3O/c24-20-6-1-5-19(22(20)25)21(7-2-8-28)30(14-15-4-3-9-29-13-15)23(31)16-10-17(26)12-18(27)11-16/h1,3-6,9-13,21H,2,7-8,14,28H2/t21-/m0/s1
InChIKeyQLYFDQLVPRMOFM-NRFANRHFSA-N
MW464.34 g/mol
LogP5.79
Rot. Bonds8

About N-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide

N-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 168853649) has the molecular formula C23H21Cl2F2N3O and a molecular weight of 464.34 g/mol. Its IUPAC name is N-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID168853649
Molecular FormulaC23H21Cl2F2N3O
Molecular Weight464.34 g/mol
Exact Mass463.10
IUPAC NameN-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESNCCC[C@@H](c1cccc(Cl)c1Cl)N(Cc1cccnc1)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C23H21Cl2F2N3O/c24-20-6-1-5-19(22(20)25)21(7-2-8-28)30(14-15-4-3-9-29-13-15)23(31)16-10-17(26)12-18(27)11-16/h1,3-6,9-13,21H,2,7-8,14,28H2/t21-/m0/s1
InChIKeyQLYFDQLVPRMOFM-NRFANRHFSA-N
XLogP5.79
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.34
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide with MolForge

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Related Compounds

5-[[[(1R)-1-(2,3-dichlorophenyl)propyl]-(3,5-difluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 168853792
N-[(S)-(2,4-dichlorophenyl)-(1H-pyrazol-4-yl)methyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide
CID 166869367
3-chloro-4-[(1S)-1-[(3-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]ethyl]benzamide
CID 166870479
N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 166869321
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
2-chloro-6-fluoro-N-(3-pyridin-3-ylpropyl)benzamide
CID 110400269
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
1-(2-chloro-6-fluorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 43563267
5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61114903
N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
CID 168853794
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide (CID 168853649) is N-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide is NCCC[C@@H](c1cccc(Cl)c1Cl)N(Cc1cccnc1)C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is QLYFDQLVPRMOFM-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21Cl2F2N3O/c24-20-6-1-5-19(22(20)25)21(7-2-8-28)30(14-15-4-3-9-29-13-15)23(31)16-10-17(26)12-18(27)11-16/h1,3-6,9-13,21H,2,7-8,14,28H2/t21-/m0/s1.
What are the key properties of N-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide?
N-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 464.34 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 168853649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).