2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide

C18H19ClN2O2 — CID 34755714

IUPAC2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-12-7-8-13(11-15(12)19)9-10-17(22)21-16-6-4-3-5-14(16)18(23)20-2/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHVNUPRFRPWSYRJ-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.58
Rot. Bonds5

About 2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide

2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide (PubChem CID 34755714) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide
PubChem CID34755714
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-12-7-8-13(11-15(12)19)9-10-17(22)21-16-6-4-3-5-14(16)18(23)20-2/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHVNUPRFRPWSYRJ-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 110606621
2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide
CID 110606651
3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide
CID 34577318
3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide
CID 18124058
N-butan-2-yl-2-[3-(3,4-dimethylphenyl)propanoylamino]benzamide
CID 133235466
ethyl 2-[3-(3,4-dichlorophenyl)propanoylamino]benzoate
CID 100593471
2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide
CID 110606723
N-methyl-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 34754830
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
2-(3-acetamidopropanoylamino)-N-methylbenzamide
CID 110606657
N'-[3-(3-chloro-4-methylphenyl)propanoyl]pyridine-2-carbohydrazide
CID 46662074

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide?
The IUPAC name of 2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide (CID 34755714) is 2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide.
What is the SMILES notation for 2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide?
The canonical SMILES for 2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide?
The InChIKey is HVNUPRFRPWSYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-7-8-13(11-15(12)19)9-10-17(22)21-16-6-4-3-5-14(16)18(23)20-2/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide?
2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide has a molecular weight of 330.82 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 34755714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).