2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide

C17H17ClN2O2 — CID 110606621

IUPAC2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-19-17(22)14-7-2-3-8-15(14)20-16(21)10-9-12-5-4-6-13(18)11-12/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyQJXICIXUDDMMCT-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.27
Rot. Bonds5

About 2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide

2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide (PubChem CID 110606621) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide
PubChem CID110606621
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C17H17ClN2O2/c1-19-17(22)14-7-2-3-8-15(14)20-16(21)10-9-12-5-4-6-13(18)11-12/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyQJXICIXUDDMMCT-UHFFFAOYSA-N
XLogP3.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide
CID 34755714
3-(3-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 47135378
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
N-methyl-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 34754830
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide
CID 110606651
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide
CID 51277577
2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide
CID 110606723
4-[2-[(3-chlorophenyl)carbamoyl]anilino]-4-oxobutanoic acid
CID 851960
2-(3-aminopropanoylamino)-5-chloro-N-methylbenzamide
CID 119284267

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide?
The IUPAC name of 2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide (CID 110606621) is 2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)CCc1cccc(Cl)c1.
What is the InChIKey of 2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide?
The InChIKey is QJXICIXUDDMMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-19-17(22)14-7-2-3-8-15(14)20-16(21)10-9-12-5-4-6-13(18)11-12/h2-8,11H,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide?
2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide has a molecular weight of 316.79 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide is sourced from PubChem (CID 110606621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).