3-(2-bromo-4-chloroanilino)-N-methylpropanamide

C10H12BrClN2O — CID 81270766

IUPAC3-(2-bromo-4-chloroanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1ccc(Cl)cc1Br
InChIInChI=1S/C10H12BrClN2O/c1-13-10(15)4-5-14-9-3-2-7(12)6-8(9)11/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyRPQLARHOXMGPLQ-UHFFFAOYSA-N
MW291.58 g/mol
LogP2.65
Rot. Bonds4

About 3-(2-bromo-4-chloroanilino)-N-methylpropanamide

3-(2-bromo-4-chloroanilino)-N-methylpropanamide (PubChem CID 81270766) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is 3-(2-bromo-4-chloroanilino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-bromo-4-chloroanilino)-N-methylpropanamide
PubChem CID81270766
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC Name3-(2-bromo-4-chloroanilino)-N-methylpropanamide
SMILESCNC(=O)CCNc1ccc(Cl)cc1Br
InChIInChI=1S/C10H12BrClN2O/c1-13-10(15)4-5-14-9-3-2-7(12)6-8(9)11/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKeyRPQLARHOXMGPLQ-UHFFFAOYSA-N
XLogP2.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038528
3-(4-chloroanilino)-N-methylpropanamide
CID 10899951
N-(2-bromo-4-chlorophenyl)-3-chloropropanamide
CID 81264246
3-(2-bromo-4-chloroanilino)propan-1-ol
CID 80979319
3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412
methyl 2-(2-bromo-4-chloroanilino)acetate
CID 80978880
2-bromo-4-chloro-N-(2-fluoroethyl)aniline
CID 81270421
5-chloro-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 62175200
3-(4-bromo-2-methylanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038531
2-bromo-4-chloro-N-decylaniline
CID 81271334
2-bromo-4-chloro-N-octylaniline
CID 81263323
2-(2-bromo-4-chloroanilino)ethanesulfonamide
CID 114385115

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-chloroanilino)-N-methylpropanamide?
The IUPAC name of 3-(2-bromo-4-chloroanilino)-N-methylpropanamide (CID 81270766) is 3-(2-bromo-4-chloroanilino)-N-methylpropanamide.
What is the SMILES notation for 3-(2-bromo-4-chloroanilino)-N-methylpropanamide?
The canonical SMILES for 3-(2-bromo-4-chloroanilino)-N-methylpropanamide is CNC(=O)CCNc1ccc(Cl)cc1Br.
What is the InChIKey of 3-(2-bromo-4-chloroanilino)-N-methylpropanamide?
The InChIKey is RPQLARHOXMGPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c1-13-10(15)4-5-14-9-3-2-7(12)6-8(9)11/h2-3,6,14H,4-5H2,1H3,(H,13,15).
What are the key properties of 3-(2-bromo-4-chloroanilino)-N-methylpropanamide?
3-(2-bromo-4-chloroanilino)-N-methylpropanamide has a molecular weight of 291.58 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-chloroanilino)-N-methylpropanamide is sourced from PubChem (CID 81270766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).