3-(4-bromo-2-chloroanilino)propanamide

C9H10BrClN2O — CID 43347354

IUPAC3-(4-bromo-2-chloroanilino)propanamide
SMILESNC(=O)CCNc1ccc(Br)cc1Cl
InChIInChI=1S/C9H10BrClN2O/c10-6-1-2-8(7(11)5-6)13-4-3-9(12)14/h1-2,5,13H,3-4H2,(H2,12,14)
InChIKeyKMKOTOUMLIQCQV-UHFFFAOYSA-N
MW277.55 g/mol
LogP2.39
Rot. Bonds4

About 3-(4-bromo-2-chloroanilino)propanamide

3-(4-bromo-2-chloroanilino)propanamide (PubChem CID 43347354) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is 3-(4-bromo-2-chloroanilino)propanamide.

Molecular Properties

Compound Name3-(4-bromo-2-chloroanilino)propanamide
PubChem CID43347354
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name3-(4-bromo-2-chloroanilino)propanamide
SMILESNC(=O)CCNc1ccc(Br)cc1Cl
InChIInChI=1S/C9H10BrClN2O/c10-6-1-2-8(7(11)5-6)13-4-3-9(12)14/h1-2,5,13H,3-4H2,(H2,12,14)
InChIKeyKMKOTOUMLIQCQV-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-chloroanilino)-N,N-dimethylpropanamide
CID 60960402
2-(4-bromo-2-chloroanilino)ethanol
CID 43168185
3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide
CID 62627923
(4-bromo-2-chlorophenyl)urea
CID 60759349
3-(2-bromo-4-carbamothioylanilino)propanamide
CID 82804027
3-(2,3-dichloroanilino)propanamide
CID 43152512
2-(5-bromo-2-chloroanilino)acetamide
CID 62914883
methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate
CID 43538645
3-(4-bromoanilino)propanamide;ethane
CID 169234714
5-(4-bromo-2-chloroanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063640
N-(4-bromo-2-chlorophenyl)-2-hydroxyacetamide
CID 43558842
3-amino-N-(4-bromo-2-chlorophenyl)-3-methylbutanamide
CID 64684964

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-chloroanilino)propanamide?
The IUPAC name of 3-(4-bromo-2-chloroanilino)propanamide (CID 43347354) is 3-(4-bromo-2-chloroanilino)propanamide.
What is the SMILES notation for 3-(4-bromo-2-chloroanilino)propanamide?
The canonical SMILES for 3-(4-bromo-2-chloroanilino)propanamide is NC(=O)CCNc1ccc(Br)cc1Cl.
What is the InChIKey of 3-(4-bromo-2-chloroanilino)propanamide?
The InChIKey is KMKOTOUMLIQCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c10-6-1-2-8(7(11)5-6)13-4-3-9(12)14/h1-2,5,13H,3-4H2,(H2,12,14).
What are the key properties of 3-(4-bromo-2-chloroanilino)propanamide?
3-(4-bromo-2-chloroanilino)propanamide has a molecular weight of 277.55 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-chloroanilino)propanamide is sourced from PubChem (CID 43347354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).