(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide

C15H20ClFN2O — CID 9249888

IUPAC(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1CCCCCC1
InChIInChI=1S/C15H20ClFN2O/c1-11(19-8-4-2-3-5-9-19)15(20)18-14-7-6-12(16)10-13(14)17/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyLBRZOFUASUVBRQ-NSHDSACASA-N
MW298.79 g/mol
LogP3.68
Rot. Bonds3

About (2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide

(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide (PubChem CID 9249888) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is (2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
PubChem CID9249888
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1CCCCCC1
InChIInChI=1S/C15H20ClFN2O/c1-11(19-8-4-2-3-5-9-19)15(20)18-14-7-6-12(16)10-13(14)17/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyLBRZOFUASUVBRQ-NSHDSACASA-N
XLogP3.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide 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

(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9249952
(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9460529
(2S)-2-(azocan-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 2655376
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430814
2-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 46630970
(2S)-N-(4-chloro-2-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 9249033
N-(4-amino-2-chlorophenyl)-2-piperidin-1-ylpropanamide
CID 16786642
N-(4-chloro-2-fluorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 45281448
(2S)-N-(4-chloro-2-fluorophenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]propanamide
CID 30739460
N-(4-chloro-2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 55430380
(2S)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2,4-difluorophenyl)propanamide
CID 9444961
N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
CID 45355486

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide?
The IUPAC name of (2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide (CID 9249888) is (2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide.
What is the SMILES notation for (2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide?
The canonical SMILES for (2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide is C[C@@H](C(=O)Nc1ccc(Cl)cc1F)N1CCCCCC1.
What is the InChIKey of (2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide?
The InChIKey is LBRZOFUASUVBRQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-11(19-8-4-2-3-5-9-19)15(20)18-14-7-6-12(16)10-13(14)17/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide?
(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide has a molecular weight of 298.79 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide is sourced from PubChem (CID 9249888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).