2-(2-bromoanilino)-N-phenylpropanamide

C15H15BrN2O — CID 43083790

IUPAC2-(2-bromoanilino)-N-phenylpropanamide
SMILESCC(Nc1ccccc1Br)C(=O)Nc1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-11(17-14-10-6-5-9-13(14)16)15(19)18-12-7-3-2-4-8-12/h2-11,17H,1H3,(H,18,19)
InChIKeyBUISFNHVPMYSJR-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.89
Rot. Bonds4

About 2-(2-bromoanilino)-N-phenylpropanamide

2-(2-bromoanilino)-N-phenylpropanamide (PubChem CID 43083790) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-phenylpropanamide
PubChem CID43083790
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name2-(2-bromoanilino)-N-phenylpropanamide
SMILESCC(Nc1ccccc1Br)C(=O)Nc1ccccc1
InChIInChI=1S/C15H15BrN2O/c1-11(17-14-10-6-5-9-13(14)16)15(19)18-12-7-3-2-4-8-12/h2-11,17H,1H3,(H,18,19)
InChIKeyBUISFNHVPMYSJR-UHFFFAOYSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dibromoanilino)-N-phenylpropanamide
CID 60680693
2-(2-bromo-5-chloroanilino)-N-phenylpropanamide
CID 81281522
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
2-(4-bromo-2-methylanilino)-N-phenylpropanamide
CID 43084058
2-(2-bromoanilino)-N-carbamoylpropanamide
CID 43083796
2-(4-bromo-2-ethylanilino)-N-phenylpropanamide
CID 81288532
2-(2,5-dichloroanilino)-N-phenylpropanamide
CID 43083844
2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide
CID 43347737
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
2-(2,6-dibromoanilino)-N-(4-methylphenyl)propanamide
CID 107599095
(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide
CID 9273986

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-phenylpropanamide?
The IUPAC name of 2-(2-bromoanilino)-N-phenylpropanamide (CID 43083790) is 2-(2-bromoanilino)-N-phenylpropanamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-phenylpropanamide?
The canonical SMILES for 2-(2-bromoanilino)-N-phenylpropanamide is CC(Nc1ccccc1Br)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(2-bromoanilino)-N-phenylpropanamide?
The InChIKey is BUISFNHVPMYSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11(17-14-10-6-5-9-13(14)16)15(19)18-12-7-3-2-4-8-12/h2-11,17H,1H3,(H,18,19).
What are the key properties of 2-(2-bromoanilino)-N-phenylpropanamide?
2-(2-bromoanilino)-N-phenylpropanamide has a molecular weight of 319.20 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-N-phenylpropanamide is sourced from PubChem (CID 43083790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).