(2S)-2-(4-chlorophenyl)-N-methylpropanamide

C10H12ClNO — CID 143748208

IUPAC(2S)-2-(4-chlorophenyl)-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c1-7(10(13)12-2)8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyFCBXMSLMQYXUFG-ZETCQYMHSA-N
MW197.66 g/mol
LogP2.19
Rot. Bonds2

About (2S)-2-(4-chlorophenyl)-N-methylpropanamide

(2S)-2-(4-chlorophenyl)-N-methylpropanamide (PubChem CID 143748208) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-methylpropanamide
PubChem CID143748208
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name(2S)-2-(4-chlorophenyl)-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO/c1-7(10(13)12-2)8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1
InChIKeyFCBXMSLMQYXUFG-ZETCQYMHSA-N
XLogP2.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N'-methylpropanehydrazide
CID 116846979
3-(4-chlorophenyl)butan-2-one
CID 21269944
(3S)-3-(4-chlorophenyl)butan-2-one
CID 94841773
(3R)-3-(4-chlorophenyl)butan-2-one
CID 90139633
2-(6-chloro-9H-carbazol-2-yl)-N-methylpropanamide
CID 71482982
2-(4-chlorophenyl)-N-(2-hydroxy-3,4-dimethylpentan-3-yl)propanamide
CID 70276088
(2R)-N-methyl-2-[4-(propan-2-ylsulfonylamino)phenyl]propanamide
CID 59136408
N-[(4-chlorophenyl)methyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 162646835
(2S)-2-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 46226333
2-[1-(4-chlorophenyl)propylamino]-N,4-dimethylpentanamide
CID 43750698
2-(4-propan-2-ylphenyl)propanoyl chloride
CID 14553074
2-(3,4-dimethoxyphenyl)-N-methylpropanamide
CID 142888646

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-methylpropanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-methylpropanamide (CID 143748208) is (2S)-2-(4-chlorophenyl)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-methylpropanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-methylpropanamide is CNC(=O)[C@@H](C)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-methylpropanamide?
The InChIKey is FCBXMSLMQYXUFG-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7(10(13)12-2)8-3-5-9(11)6-4-8/h3-7H,1-2H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-methylpropanamide?
(2S)-2-(4-chlorophenyl)-N-methylpropanamide has a molecular weight of 197.66 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N-methylpropanamide is sourced from PubChem (CID 143748208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).