N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide

C11H12ClN3O3 — CID 24878934

IUPACN-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide
SMILESCc1c(NC(=O)CCl)cccc1C(=O)NC(N)=O
InChIInChI=1S/C11H12ClN3O3/c1-6-7(10(17)15-11(13)18)3-2-4-8(6)14-9(16)5-12/h2-4H,5H2,1H3,(H,14,16)(H3,13,15,17,18)
InChIKeyBBQCTBNJLWGFKL-UHFFFAOYSA-N
MW269.69 g/mol
LogP0.98
Rot. Bonds3

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

N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide (PubChem CID 24878934) has the molecular formula C11H12ClN3O3 and a molecular weight of 269.69 g/mol. Its IUPAC name is N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide.

Molecular Properties

Compound NameN-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide
PubChem CID24878934
Molecular FormulaC11H12ClN3O3
Molecular Weight269.69 g/mol
Exact Mass269.06
IUPAC NameN-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide
SMILESCc1c(NC(=O)CCl)cccc1C(=O)NC(N)=O
InChIInChI=1S/C11H12ClN3O3/c1-6-7(10(17)15-11(13)18)3-2-4-8(6)14-9(16)5-12/h2-4H,5H2,1H3,(H,14,16)(H3,13,15,17,18)
InChIKeyBBQCTBNJLWGFKL-UHFFFAOYSA-N
XLogP0.98
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 43698457
3-(2-bromopropanoylamino)-N-carbamoyl-2-methylbenzamide
CID 24878987
methyl N-[3-[(2-chloroacetyl)amino]-2-methylphenyl]carbamate
CID 166415130
2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide
CID 166429832
methyl 3-(3-chloropropanoylamino)-2-methylbenzoate
CID 43699221
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-methylbenzamide
CID 55246391
3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide
CID 78987092
3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide
CID 62835659
3-[(2-carboxyacetyl)amino]-2-methylbenzoic acid
CID 62231492
2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide
CID 43146029
methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 50989106
3-[(2-bromoacetyl)amino]-2-methylbenzoic acid
CID 63679679

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide?
The IUPAC name of N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide (CID 24878934) is N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide.
What is the SMILES notation for N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide?
The canonical SMILES for N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide is Cc1c(NC(=O)CCl)cccc1C(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide?
The InChIKey is BBQCTBNJLWGFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3/c1-6-7(10(17)15-11(13)18)3-2-4-8(6)14-9(16)5-12/h2-4H,5H2,1H3,(H,14,16)(H3,13,15,17,18).
What are the key properties of N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide?
N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide has a molecular weight of 269.69 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide is sourced from PubChem (CID 24878934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).