2-chloro-N-(2-methylphenyl)propanamide

C10H12ClNO — CID 3858908

IUPAC2-chloro-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)Cl
InChIInChI=1S/C10H12ClNO/c1-7-5-3-4-6-9(7)12-10(13)8(2)11/h3-6,8H,1-2H3,(H,12,13)
InChIKeyYWSVGMSGVIXGPW-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.56
Rot. Bonds2

About 2-chloro-N-(2-methylphenyl)propanamide

2-chloro-N-(2-methylphenyl)propanamide (PubChem CID 3858908) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-chloro-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-methylphenyl)propanamide
PubChem CID3858908
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-chloro-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)C(C)Cl
InChIInChI=1S/C10H12ClNO/c1-7-5-3-4-6-9(7)12-10(13)8(2)11/h3-6,8H,1-2H3,(H,12,13)
InChIKeyYWSVGMSGVIXGPW-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
2-chloro-N-[2-(hydroxymethyl)phenyl]propanamide
CID 43700276
3-methyl-N-(2-methylphenyl)-2-sulfanylbutanamide
CID 107021666
2-chloro-N-(2,5-dimethylphenyl)propanamide
CID 25218955
(2R)-2-chloro-N-(2-methoxyphenyl)propanamide
CID 2490730
2,3-dimethyl-4-(2-methylanilino)-4-oxobutanoic acid;methane
CID 158872294
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
(3S)-2,3-dihydroxy-4-(2-methylanilino)-4-oxobutanoic acid
CID 90803234
3-(ethylamino)-2-methyl-N-(2-methylphenyl)propanamide
CID 45097653
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide
CID 22691032
N-(5-acetamido-2-methylphenyl)-2-chloropropanamide
CID 43696197
2-chloro-N-[4-(dimethylamino)-2-methylphenyl]propanamide
CID 43696996

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylphenyl)propanamide?
The IUPAC name of 2-chloro-N-(2-methylphenyl)propanamide (CID 3858908) is 2-chloro-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-methylphenyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-(2-methylphenyl)propanamide?
The InChIKey is YWSVGMSGVIXGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7-5-3-4-6-9(7)12-10(13)8(2)11/h3-6,8H,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N-(2-methylphenyl)propanamide?
2-chloro-N-(2-methylphenyl)propanamide has a molecular weight of 197.66 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methylphenyl)propanamide is sourced from PubChem (CID 3858908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).