2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide

C12H15BrN2O — CID 104937840

IUPAC2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide
SMILESCc1cc(Br)cc(NCC(=O)NC2CC2)c1
InChIInChI=1S/C12H15BrN2O/c1-8-4-9(13)6-11(5-8)14-7-12(16)15-10-2-3-10/h4-6,10,14H,2-3,7H2,1H3,(H,15,16)
InChIKeyVJRCQDHPKGWMML-UHFFFAOYSA-N
MW283.17 g/mol
LogP2.45
Rot. Bonds4

About 2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide

2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide (PubChem CID 104937840) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide
PubChem CID104937840
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide
SMILESCc1cc(Br)cc(NCC(=O)NC2CC2)c1
InChIInChI=1S/C12H15BrN2O/c1-8-4-9(13)6-11(5-8)14-7-12(16)15-10-2-3-10/h4-6,10,14H,2-3,7H2,1H3,(H,15,16)
InChIKeyVJRCQDHPKGWMML-UHFFFAOYSA-N
XLogP2.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide 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-(3-bromo-5-methylanilino)-N-methylacetamide
CID 107583333
2-(4-bromo-3,5-dimethylanilino)-N-cyclohexylacetamide
CID 107573480
2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
CID 63333682
N-cyclopentyl-2-(2,4,6-tribromoanilino)acetamide
CID 28992040
2-[(3-bromo-5-methylanilino)methyl]prop-2-enoic acid
CID 107584238
2-(4-tert-butylanilino)-N-cyclopropylacetamide
CID 28571999
2-(2-bromo-4-methylanilino)-N-(4-methylcyclohexyl)acetamide
CID 37273913
2-(3-amino-5-methoxyanilino)-N-cyclopropylacetamide
CID 80730738
2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide
CID 63098146
N-cyclopentyl-2-(3,4-dimethylanilino)acetamide
CID 28580510
2-(2-chloro-4,6-dimethylanilino)-N-cyclopentylacetamide
CID 108993493
2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide
CID 107583061

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide?
The IUPAC name of 2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide (CID 104937840) is 2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide is Cc1cc(Br)cc(NCC(=O)NC2CC2)c1.
What is the InChIKey of 2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide?
The InChIKey is VJRCQDHPKGWMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-8-4-9(13)6-11(5-8)14-7-12(16)15-10-2-3-10/h4-6,10,14H,2-3,7H2,1H3,(H,15,16).
What are the key properties of 2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide?
2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide has a molecular weight of 283.17 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methylanilino)-N-cyclopropylacetamide is sourced from PubChem (CID 104937840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).