2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide

C18H19ClN2O2 — CID 110606723

IUPAC2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCCc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-20-18(23)14-9-3-5-11-16(14)21-17(22)12-6-8-13-7-2-4-10-15(13)19/h2-5,7,9-11H,6,8,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyHBBHFVKXVCPVGK-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.66
Rot. Bonds6

About 2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide

2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide (PubChem CID 110606723) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide
PubChem CID110606723
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCCc1ccccc1Cl
InChIInChI=1S/C18H19ClN2O2/c1-20-18(23)14-9-3-5-11-16(14)21-17(22)12-6-8-13-7-2-4-10-15(13)19/h2-5,7,9-11H,6,8,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyHBBHFVKXVCPVGK-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide
CID 17179030
2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide
CID 110606651
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
2-[3-(3-chloro-4-methylphenyl)propanoylamino]-N-methylbenzamide
CID 34755714
2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 110606621
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 37012040
2-[[5-(4-fluorophenyl)-5-oxopentanoyl]amino]-N-methylbenzamide
CID 110615676
N-methyl-2-(3-oxobutanoylamino)benzamide
CID 43579628
2-(3-acetamidopropanoylamino)-N-methylbenzamide
CID 110606657
3-(2-chlorophenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 17179010

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide?
The IUPAC name of 2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide (CID 110606723) is 2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)CCCc1ccccc1Cl.
What is the InChIKey of 2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide?
The InChIKey is HBBHFVKXVCPVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-20-18(23)14-9-3-5-11-16(14)21-17(22)12-6-8-13-7-2-4-10-15(13)19/h2-5,7,9-11H,6,8,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide?
2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide has a molecular weight of 330.82 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide is sourced from PubChem (CID 110606723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).