2-(2-bromo-5-chloroanilino)-N-phenylpropanamide

C15H14BrClN2O — CID 81281522

IUPAC2-(2-bromo-5-chloroanilino)-N-phenylpropanamide
SMILESCC(Nc1cc(Cl)ccc1Br)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14BrClN2O/c1-10(15(20)19-12-5-3-2-4-6-12)18-14-9-11(17)7-8-13(14)16/h2-10,18H,1H3,(H,19,20)
InChIKeyDPAUKZZYVCFBMQ-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.54
Rot. Bonds4

About 2-(2-bromo-5-chloroanilino)-N-phenylpropanamide

2-(2-bromo-5-chloroanilino)-N-phenylpropanamide (PubChem CID 81281522) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 2-(2-bromo-5-chloroanilino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(2-bromo-5-chloroanilino)-N-phenylpropanamide
PubChem CID81281522
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name2-(2-bromo-5-chloroanilino)-N-phenylpropanamide
SMILESCC(Nc1cc(Cl)ccc1Br)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14BrClN2O/c1-10(15(20)19-12-5-3-2-4-6-12)18-14-9-11(17)7-8-13(14)16/h2-10,18H,1H3,(H,19,20)
InChIKeyDPAUKZZYVCFBMQ-UHFFFAOYSA-N
XLogP4.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

2-(2,5-dichloroanilino)-N-phenylpropanamide
CID 43083844
2-(2-bromoanilino)-N-phenylpropanamide
CID 43083790
2-(2,4-dibromoanilino)-N-phenylpropanamide
CID 60680693
2-(2-bromo-5-chloroanilino)propanamide
CID 81281042
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
2-(2-bromo-5-chloroanilino)-N-cyclopropylpropanamide
CID 81280708
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
2-(4-bromo-2-methylanilino)-N-phenylpropanamide
CID 43084058
N-(2-bromo-5-chlorophenyl)-2-methylbutanamide
CID 81271698
N-(2-bromo-5-chlorophenyl)-2-chloropropanamide
CID 81264583
2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide
CID 43347737
2-(4-bromo-2-ethylanilino)-N-phenylpropanamide
CID 81288532

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-chloroanilino)-N-phenylpropanamide?
The IUPAC name of 2-(2-bromo-5-chloroanilino)-N-phenylpropanamide (CID 81281522) is 2-(2-bromo-5-chloroanilino)-N-phenylpropanamide.
What is the SMILES notation for 2-(2-bromo-5-chloroanilino)-N-phenylpropanamide?
The canonical SMILES for 2-(2-bromo-5-chloroanilino)-N-phenylpropanamide is CC(Nc1cc(Cl)ccc1Br)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-bromo-5-chloroanilino)-N-phenylpropanamide?
The InChIKey is DPAUKZZYVCFBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-10(15(20)19-12-5-3-2-4-6-12)18-14-9-11(17)7-8-13(14)16/h2-10,18H,1H3,(H,19,20).
What are the key properties of 2-(2-bromo-5-chloroanilino)-N-phenylpropanamide?
2-(2-bromo-5-chloroanilino)-N-phenylpropanamide has a molecular weight of 353.65 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-chloroanilino)-N-phenylpropanamide is sourced from PubChem (CID 81281522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).