3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide

C15H14BrClN2O — CID 109037837

IUPAC3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
SMILESO=C(CCNc1ccccc1Br)Nc1ccccc1Cl
InChIInChI=1S/C15H14BrClN2O/c16-11-5-1-3-7-13(11)18-10-9-15(20)19-14-8-4-2-6-12(14)17/h1-8,18H,9-10H2,(H,19,20)
InChIKeyVTJDBDXFZCBIMZ-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.54
Rot. Bonds5

About 3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide

3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide (PubChem CID 109037837) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
PubChem CID109037837
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide
SMILESO=C(CCNc1ccccc1Br)Nc1ccccc1Cl
InChIInChI=1S/C15H14BrClN2O/c16-11-5-1-3-7-13(11)18-10-9-15(20)19-14-8-4-2-6-12(14)17/h1-8,18H,9-10H2,(H,19,20)
InChIKeyVTJDBDXFZCBIMZ-UHFFFAOYSA-N
XLogP4.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromoanilino)-N-(5-chloro-2-methylphenyl)propanamide
CID 109038412
3-(3-chloro-2-methylanilino)-N-(2-chlorophenyl)propanamide
CID 109037795
3-(2-bromoanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 109021435
3-(2-bromoanilino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109038528
N-(2-chlorophenyl)-3-(2,4-dichloroanilino)propanamide
CID 109037852
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
N-(2-bromophenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038471
methyl 2-[3-(2-bromoanilino)propanoylamino]benzoate
CID 109041303
N-(2-chlorophenyl)-3-(2,5-dimethylanilino)propanamide
CID 109035349
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide (CID 109037837) is 3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide is O=C(CCNc1ccccc1Br)Nc1ccccc1Cl.
What is the InChIKey of 3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide?
The InChIKey is VTJDBDXFZCBIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c16-11-5-1-3-7-13(11)18-10-9-15(20)19-14-8-4-2-6-12(14)17/h1-8,18H,9-10H2,(H,19,20).
What are the key properties of 3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide?
3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide has a molecular weight of 353.65 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoanilino)-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 109037837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).