2-(4-chlorobutanoylamino)-N-methylbenzamide

C12H15ClN2O2 — CID 17161020

IUPAC2-(4-chlorobutanoylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCCCl
InChIInChI=1S/C12H15ClN2O2/c1-14-12(17)9-5-2-3-6-10(9)15-11(16)7-4-8-13/h2-3,5-6H,4,7-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyUEVDRRNMJSFWIV-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.00
Rot. Bonds5

About 2-(4-chlorobutanoylamino)-N-methylbenzamide

2-(4-chlorobutanoylamino)-N-methylbenzamide (PubChem CID 17161020) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-(4-chlorobutanoylamino)-N-methylbenzamide.

Molecular Properties

Compound Name2-(4-chlorobutanoylamino)-N-methylbenzamide
PubChem CID17161020
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-(4-chlorobutanoylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccccc1NC(=O)CCCCl
InChIInChI=1S/C12H15ClN2O2/c1-14-12(17)9-5-2-3-6-10(9)15-11(16)7-4-8-13/h2-3,5-6H,4,7-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyUEVDRRNMJSFWIV-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopropanoylamino)-N-methylbenzamide;hydrochloride
CID 119273488
2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide
CID 110606723
4-chloro-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 63307585
2-(5-chloropentanoylamino)benzoic acid
CID 61251047
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
N-methyl-2-(4-thiophen-2-ylbutanoylamino)benzamide
CID 39969290
2-(7-chloroheptanoylamino)benzamide
CID 139930503
2-[4-(3,4-dimethylphenyl)butanoylamino]-N-methylbenzamide
CID 110606651
2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide
CID 82016802
2-[3-(3-chlorophenyl)propanoylamino]-N-methylbenzamide
CID 110606621

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobutanoylamino)-N-methylbenzamide?
The IUPAC name of 2-(4-chlorobutanoylamino)-N-methylbenzamide (CID 17161020) is 2-(4-chlorobutanoylamino)-N-methylbenzamide.
What is the SMILES notation for 2-(4-chlorobutanoylamino)-N-methylbenzamide?
The canonical SMILES for 2-(4-chlorobutanoylamino)-N-methylbenzamide is CNC(=O)c1ccccc1NC(=O)CCCCl.
What is the InChIKey of 2-(4-chlorobutanoylamino)-N-methylbenzamide?
The InChIKey is UEVDRRNMJSFWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-14-12(17)9-5-2-3-6-10(9)15-11(16)7-4-8-13/h2-3,5-6H,4,7-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-(4-chlorobutanoylamino)-N-methylbenzamide?
2-(4-chlorobutanoylamino)-N-methylbenzamide has a molecular weight of 254.72 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobutanoylamino)-N-methylbenzamide is sourced from PubChem (CID 17161020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).