3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide

C13H15ClN2O2 — CID 11265619

IUPAC3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)CCl
InChIInChI=1S/C13H15ClN2O2/c1-8-2-3-9(13(18)15-10-4-5-10)6-11(8)16-12(17)7-14/h2-3,6,10H,4-5,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyALPDMMILFBWMCO-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.06
Rot. Bonds4

About 3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide

3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide (PubChem CID 11265619) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
PubChem CID11265619
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)CCl
InChIInChI=1S/C13H15ClN2O2/c1-8-2-3-9(13(18)15-10-4-5-10)6-11(8)16-12(17)7-14/h2-3,6,10H,4-5,7H2,1H3,(H,15,18)(H,16,17)
InChIKeyALPDMMILFBWMCO-UHFFFAOYSA-N
XLogP2.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.06
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

N-cyclopropyl-4-methyl-3-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55963383
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
2-chloro-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyridine-4-carboxamide
CID 47047663
3-[3-(2-aminophenyl)propanoylamino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 120608755
3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]-4-methylbenzoic acid
CID 91646228
3-[[2-[(4-bromophenyl)methylsulfonyl]acetyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 112833756
3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-N-cyclopropyl-4-methylbenzamide
CID 55786201
3-[3-(cyclopropylamino)propanoylamino]-4-methylbenzoic acid
CID 60867475

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide?
The IUPAC name of 3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide (CID 11265619) is 3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide.
What is the SMILES notation for 3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide?
The canonical SMILES for 3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)CCl.
What is the InChIKey of 3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide?
The InChIKey is ALPDMMILFBWMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-8-2-3-9(13(18)15-10-4-5-10)6-11(8)16-12(17)7-14/h2-3,6,10H,4-5,7H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide?
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide has a molecular weight of 266.73 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide is sourced from PubChem (CID 11265619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).