N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide

C23H21Cl2FN2O — CID 166869321

IUPACN-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)[C@@H](c1ccc(Cl)cc1Cl)N(Cc1cccnc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C23H21Cl2FN2O/c1-15(2)22(20-9-8-18(24)12-21(20)25)28(14-16-5-4-10-27-13-16)23(29)17-6-3-7-19(26)11-17/h3-13,15,22H,14H2,1-2H3/t22-/m0/s1
InChIKeySQQHJBBYIPOPSL-QFIPXVFZSA-N
MW431.34 g/mol
LogP6.57
Rot. Bonds6

About N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide

N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 166869321) has the molecular formula C23H21Cl2FN2O and a molecular weight of 431.34 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
PubChem CID166869321
Molecular FormulaC23H21Cl2FN2O
Molecular Weight431.34 g/mol
Exact Mass430.10
IUPAC NameN-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)[C@@H](c1ccc(Cl)cc1Cl)N(Cc1cccnc1)C(=O)c1cccc(F)c1
InChIInChI=1S/C23H21Cl2FN2O/c1-15(2)22(20-9-8-18(24)12-21(20)25)28(14-16-5-4-10-27-13-16)23(29)17-6-3-7-19(26)11-17/h3-13,15,22H,14H2,1-2H3/t22-/m0/s1
InChIKeySQQHJBBYIPOPSL-QFIPXVFZSA-N
XLogP6.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.34
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide 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

3-chloro-4-[(1S)-1-[(3-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]ethyl]benzamide
CID 166870479
N-[(S)-(2,4-dichlorophenyl)-(1H-pyrazol-4-yl)methyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide
CID 166869367
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55820021
N-cyclopropyl-3-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 110753074
N-[(1S)-4-amino-1-(2,3-dichlorophenyl)butyl]-3,5-difluoro-N-(pyridin-3-ylmethyl)benzamide
CID 168853649
N-[(2,4-dichlorophenyl)methyl]-3-fluoro-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 168853785
N-[(2,4-dichlorophenyl)methyl]-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853797
N-[(2,4-dichlorophenyl)methyl]-3,4,5-trifluoro-N-(pyridin-3-ylmethyl)benzamide
CID 168853794
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001
methyl 4-[2-[(3-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]propanoyl]-1,3,5-trimethylpyrrole-2-carboxylate
CID 42677550
N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 51123762

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide (CID 166869321) is N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide is CC(C)[C@@H](c1ccc(Cl)cc1Cl)N(Cc1cccnc1)C(=O)c1cccc(F)c1.
What is the InChIKey of N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is SQQHJBBYIPOPSL-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O/c1-15(2)22(20-9-8-18(24)12-21(20)25)28(14-16-5-4-10-27-13-16)23(29)17-6-3-7-19(26)11-17/h3-13,15,22H,14H2,1-2H3/t22-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide?
N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 431.34 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dichlorophenyl)-2-methylpropyl]-3-fluoro-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 166869321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).