N-(2-chloro-3-methylphenyl)propanamide

C10H12ClNO — CID 130161458

IUPACN-(2-chloro-3-methylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(C)c1Cl
InChIInChI=1S/C10H12ClNO/c1-3-9(13)12-8-6-4-5-7(2)10(8)11/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyCHDFFJRTYNGDER-UHFFFAOYSA-N
MW197.66 g/mol
LogP3.00
Rot. Bonds2

About N-(2-chloro-3-methylphenyl)propanamide

N-(2-chloro-3-methylphenyl)propanamide (PubChem CID 130161458) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is N-(2-chloro-3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-chloro-3-methylphenyl)propanamide
PubChem CID130161458
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC NameN-(2-chloro-3-methylphenyl)propanamide
SMILESCCC(=O)Nc1cccc(C)c1Cl
InChIInChI=1S/C10H12ClNO/c1-3-9(13)12-8-6-4-5-7(2)10(8)11/h4-6H,3H2,1-2H3,(H,12,13)
InChIKeyCHDFFJRTYNGDER-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
N-(3-chloro-2-hydroxyphenyl)propanamide
CID 11206429
N-[5-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 54844937
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]propanamide
CID 107800793
N-(3-chloro-2-formylphenyl)propanamide
CID 159798849
N-[3-[[2-(2-chloroanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54810419
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-methylphenyl]propanamide
CID 38773209
N-[3-[[2-(3-chloro-2-methylanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54814911
N-(2-acetamidophenyl)propanamide
CID 885895
N-(5-hydroxynaphthalen-1-yl)propanamide
CID 12882754
N-(2,3-diethylphenyl)propanamide
CID 142121633
2-amino-3-(2-chloro-3-methylanilino)propanamide
CID 130495827

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methylphenyl)propanamide?
The IUPAC name of N-(2-chloro-3-methylphenyl)propanamide (CID 130161458) is N-(2-chloro-3-methylphenyl)propanamide.
What is the SMILES notation for N-(2-chloro-3-methylphenyl)propanamide?
The canonical SMILES for N-(2-chloro-3-methylphenyl)propanamide is CCC(=O)Nc1cccc(C)c1Cl.
What is the InChIKey of N-(2-chloro-3-methylphenyl)propanamide?
The InChIKey is CHDFFJRTYNGDER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-3-9(13)12-8-6-4-5-7(2)10(8)11/h4-6H,3H2,1-2H3,(H,12,13).
What are the key properties of N-(2-chloro-3-methylphenyl)propanamide?
N-(2-chloro-3-methylphenyl)propanamide has a molecular weight of 197.66 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methylphenyl)propanamide is sourced from PubChem (CID 130161458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).