(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide

C16H23ClN2O — CID 9249952

IUPAC(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCCCCC1
InChIInChI=1S/C16H23ClN2O/c1-12-7-8-14(17)11-15(12)18-16(20)13(2)19-9-5-3-4-6-10-19/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyXAQDOUCUTQTTKQ-CYBMUJFWSA-N
MW294.83 g/mol
LogP3.85
Rot. Bonds3

About (2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide

(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide (PubChem CID 9249952) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
PubChem CID9249952
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCCCCC1
InChIInChI=1S/C16H23ClN2O/c1-12-7-8-14(17)11-15(12)18-16(20)13(2)19-9-5-3-4-6-10-19/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyXAQDOUCUTQTTKQ-CYBMUJFWSA-N
XLogP3.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9460529
1-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908247
2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46681683
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]propanamide
CID 9445035
(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275606
(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
CID 9249888
(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 9442745
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propanamide
CID 97070928
N-[[(3S)-1-[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 100855812
(2R)-2-(azocan-1-yl)-N-(2,4-dimethylphenyl)propanamide
CID 9460338
N-(5-chloro-2-methylphenyl)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 55430844

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide?
The IUPAC name of (2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide (CID 9249952) is (2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide?
The canonical SMILES for (2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide is Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCCCCC1.
What is the InChIKey of (2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide?
The InChIKey is XAQDOUCUTQTTKQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12-7-8-14(17)11-15(12)18-16(20)13(2)19-9-5-3-4-6-10-19/h7-8,11,13H,3-6,9-10H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide?
(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide has a molecular weight of 294.83 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 9249952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).