3-(2-chloropropanoylamino)-N-methylbenzamide

C11H13ClN2O2 — CID 43244627

IUPAC3-(2-chloropropanoylamino)-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C(C)Cl)c1
InChIInChI=1S/C11H13ClN2O2/c1-7(12)10(15)14-9-5-3-4-8(6-9)11(16)13-2/h3-7H,1-2H3,(H,13,16)(H,14,15)
InChIKeyCAVHJFJDIDFZJH-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.61
Rot. Bonds3

About 3-(2-chloropropanoylamino)-N-methylbenzamide

3-(2-chloropropanoylamino)-N-methylbenzamide (PubChem CID 43244627) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-(2-chloropropanoylamino)-N-methylbenzamide.

Molecular Properties

Compound Name3-(2-chloropropanoylamino)-N-methylbenzamide
PubChem CID43244627
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name3-(2-chloropropanoylamino)-N-methylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)C(C)Cl)c1
InChIInChI=1S/C11H13ClN2O2/c1-7(12)10(15)14-9-5-3-4-8(6-9)11(16)13-2/h3-7H,1-2H3,(H,13,16)(H,14,15)
InChIKeyCAVHJFJDIDFZJH-UHFFFAOYSA-N
XLogP1.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.61
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

3-[[1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51167571
N-[3-(2-aminoacetyl)phenyl]-2-chloropropanamide
CID 170860874
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
N-methyl-3-(2-phenoxypropanoylamino)benzamide
CID 17233082
3-[2-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
CID 134037507
(2S)-2-chloro-N-(3-chlorophenyl)propanamide
CID 2404784
ethyl 3-[[(2S)-2-chloropropanoyl]amino]benzoate
CID 92660255
3-[2-(3-iodoanilino)propanoylamino]-N-methylbenzamide
CID 112811069
N-methyl-3-(3-methylbutan-2-ylcarbamoylamino)benzamide
CID 51080300
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
N-methyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 54820848
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropropanoylamino)-N-methylbenzamide?
The IUPAC name of 3-(2-chloropropanoylamino)-N-methylbenzamide (CID 43244627) is 3-(2-chloropropanoylamino)-N-methylbenzamide.
What is the SMILES notation for 3-(2-chloropropanoylamino)-N-methylbenzamide?
The canonical SMILES for 3-(2-chloropropanoylamino)-N-methylbenzamide is CNC(=O)c1cccc(NC(=O)C(C)Cl)c1.
What is the InChIKey of 3-(2-chloropropanoylamino)-N-methylbenzamide?
The InChIKey is CAVHJFJDIDFZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-7(12)10(15)14-9-5-3-4-8(6-9)11(16)13-2/h3-7H,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 3-(2-chloropropanoylamino)-N-methylbenzamide?
3-(2-chloropropanoylamino)-N-methylbenzamide has a molecular weight of 240.69 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropropanoylamino)-N-methylbenzamide is sourced from PubChem (CID 43244627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).