2-(4-bromo-2-methylanilino)-N-phenylpropanamide

C16H17BrN2O — CID 43084058

IUPAC2-(4-bromo-2-methylanilino)-N-phenylpropanamide
SMILESCc1cc(Br)ccc1NC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C16H17BrN2O/c1-11-10-13(17)8-9-15(11)18-12(2)16(20)19-14-6-4-3-5-7-14/h3-10,12,18H,1-2H3,(H,19,20)
InChIKeyNVHLZHJKSOBAJS-UHFFFAOYSA-N
MW333.23 g/mol
LogP4.20
Rot. Bonds4

About 2-(4-bromo-2-methylanilino)-N-phenylpropanamide

2-(4-bromo-2-methylanilino)-N-phenylpropanamide (PubChem CID 43084058) has the molecular formula C16H17BrN2O and a molecular weight of 333.23 g/mol. Its IUPAC name is 2-(4-bromo-2-methylanilino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylanilino)-N-phenylpropanamide
PubChem CID43084058
Molecular FormulaC16H17BrN2O
Molecular Weight333.23 g/mol
Exact Mass332.05
IUPAC Name2-(4-bromo-2-methylanilino)-N-phenylpropanamide
SMILESCc1cc(Br)ccc1NC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C16H17BrN2O/c1-11-10-13(17)8-9-15(11)18-12(2)16(20)19-14-6-4-3-5-7-14/h3-10,12,18H,1-2H3,(H,19,20)
InChIKeyNVHLZHJKSOBAJS-UHFFFAOYSA-N
XLogP4.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dibromoanilino)-N-phenylpropanamide
CID 60680693
2-(4-bromo-2-ethylanilino)-N-phenylpropanamide
CID 81288532
2-(2-bromoanilino)-N-phenylpropanamide
CID 43083790
2-(4-bromo-2-methylanilino)-N-prop-2-enylpropanamide
CID 43087897
2-(2,4-dimethylanilino)-N-(phenylcarbamoyl)propanamide
CID 51286469
2-(2-bromo-5-chloroanilino)-N-phenylpropanamide
CID 81281522
2-acetamido-N-(4-bromo-2-methylphenyl)propanamide
CID 78768995
2-(2,4-dimethylanilino)-N-naphthalen-2-ylpropanamide
CID 3283629
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
1-(4-bromo-2-methylphenyl)-3-(2-methylphenyl)urea
CID 108894214
(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide
CID 9273986

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylanilino)-N-phenylpropanamide?
The IUPAC name of 2-(4-bromo-2-methylanilino)-N-phenylpropanamide (CID 43084058) is 2-(4-bromo-2-methylanilino)-N-phenylpropanamide.
What is the SMILES notation for 2-(4-bromo-2-methylanilino)-N-phenylpropanamide?
The canonical SMILES for 2-(4-bromo-2-methylanilino)-N-phenylpropanamide is Cc1cc(Br)ccc1NC(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(4-bromo-2-methylanilino)-N-phenylpropanamide?
The InChIKey is NVHLZHJKSOBAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O/c1-11-10-13(17)8-9-15(11)18-12(2)16(20)19-14-6-4-3-5-7-14/h3-10,12,18H,1-2H3,(H,19,20).
What are the key properties of 2-(4-bromo-2-methylanilino)-N-phenylpropanamide?
2-(4-bromo-2-methylanilino)-N-phenylpropanamide has a molecular weight of 333.23 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylanilino)-N-phenylpropanamide is sourced from PubChem (CID 43084058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).