2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide

C12H14BrClN2O — CID 54957038

IUPAC2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CNc1ccc(Br)cc1Cl)C1CC1
InChIInChI=1S/C12H14BrClN2O/c1-16(9-3-4-9)12(17)7-15-11-5-2-8(13)6-10(11)14/h2,5-6,9,15H,3-4,7H2,1H3
InChIKeyXPVUANNITKGOGL-UHFFFAOYSA-N
MW317.61 g/mol
LogP3.14
Rot. Bonds4

About 2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide

2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide (PubChem CID 54957038) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is 2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide
PubChem CID54957038
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)CNc1ccc(Br)cc1Cl)C1CC1
InChIInChI=1S/C12H14BrClN2O/c1-16(9-3-4-9)12(17)7-15-11-5-2-8(13)6-10(11)14/h2,5-6,9,15H,3-4,7H2,1H3
InChIKeyXPVUANNITKGOGL-UHFFFAOYSA-N
XLogP3.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide 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

2-(2-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 54956732
3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide
CID 60960402
2-(4-bromo-2-chloroanilino)-N-cyclopentylacetamide
CID 43236944
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 61488860
N-cyclopropyl-2-(3,5-dichloroanilino)-N-methylacetamide
CID 54957036
N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide
CID 61488566
2-(3-bromo-4-methylanilino)-N-cyclopropyl-N-methylacetamide
CID 55137262
2-[3-bromo-5-(trifluoromethyl)anilino]-N-cyclopropyl-N-methylacetamide
CID 65489038
3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide
CID 62627923
2-(4-bromo-2-ethylanilino)-N,N-dimethylacetamide
CID 80979820
2-(4-amino-2,5-dichloroanilino)-N-methyl-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 22245704
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide
CID 62538780

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide (CID 54957038) is 2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide is CN(C(=O)CNc1ccc(Br)cc1Cl)C1CC1.
What is the InChIKey of 2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide?
The InChIKey is XPVUANNITKGOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c1-16(9-3-4-9)12(17)7-15-11-5-2-8(13)6-10(11)14/h2,5-6,9,15H,3-4,7H2,1H3.
What are the key properties of 2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide?
2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide has a molecular weight of 317.61 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chloroanilino)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 54957038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).