2-(2,4-dibromoanilino)-N-phenylpropanamide

C15H14Br2N2O — CID 60680693

IUPAC2-(2,4-dibromoanilino)-N-phenylpropanamide
SMILESCC(Nc1ccc(Br)cc1Br)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14Br2N2O/c1-10(15(20)19-12-5-3-2-4-6-12)18-14-8-7-11(16)9-13(14)17/h2-10,18H,1H3,(H,19,20)
InChIKeyVKXSRIUQGWKLQQ-UHFFFAOYSA-N
MW398.10 g/mol
LogP4.65
Rot. Bonds4

About 2-(2,4-dibromoanilino)-N-phenylpropanamide

2-(2,4-dibromoanilino)-N-phenylpropanamide (PubChem CID 60680693) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 2-(2,4-dibromoanilino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(2,4-dibromoanilino)-N-phenylpropanamide
PubChem CID60680693
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name2-(2,4-dibromoanilino)-N-phenylpropanamide
SMILESCC(Nc1ccc(Br)cc1Br)C(=O)Nc1ccccc1
InChIInChI=1S/C15H14Br2N2O/c1-10(15(20)19-12-5-3-2-4-6-12)18-14-8-7-11(16)9-13(14)17/h2-10,18H,1H3,(H,19,20)
InChIKeyVKXSRIUQGWKLQQ-UHFFFAOYSA-N
XLogP4.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-methylanilino)-N-phenylpropanamide
CID 43084058
2-(2-bromoanilino)-N-phenylpropanamide
CID 43083790
2-(4-bromo-2-ethylanilino)-N-phenylpropanamide
CID 81288532
2-(2-bromo-5-chloroanilino)-N-phenylpropanamide
CID 81281522
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
2-(2,4-dibromoanilino)-N-(2-methylbutan-2-yl)propanamide
CID 61473722
(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide
CID 9273986
2-(2,5-dichloroanilino)-N-phenylpropanamide
CID 43083844
2-(2-bromo-4,6-difluoroanilino)-N-phenylpropanamide
CID 43347737
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-phenylpropanamide
CID 81357170
(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
2-(2,4-dibromoanilino)-N-(3-methoxypropyl)propanamide
CID 61473681

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromoanilino)-N-phenylpropanamide?
The IUPAC name of 2-(2,4-dibromoanilino)-N-phenylpropanamide (CID 60680693) is 2-(2,4-dibromoanilino)-N-phenylpropanamide.
What is the SMILES notation for 2-(2,4-dibromoanilino)-N-phenylpropanamide?
The canonical SMILES for 2-(2,4-dibromoanilino)-N-phenylpropanamide is CC(Nc1ccc(Br)cc1Br)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(2,4-dibromoanilino)-N-phenylpropanamide?
The InChIKey is VKXSRIUQGWKLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c1-10(15(20)19-12-5-3-2-4-6-12)18-14-8-7-11(16)9-13(14)17/h2-10,18H,1H3,(H,19,20).
What are the key properties of 2-(2,4-dibromoanilino)-N-phenylpropanamide?
2-(2,4-dibromoanilino)-N-phenylpropanamide has a molecular weight of 398.10 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromoanilino)-N-phenylpropanamide is sourced from PubChem (CID 60680693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).