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

C17H19BrN2O — CID 81288532

IUPAC2-(4-bromo-2-ethylanilino)-N-phenylpropanamide
SMILESCCc1cc(Br)ccc1NC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-3-13-11-14(18)9-10-16(13)19-12(2)17(21)20-15-7-5-4-6-8-15/h4-12,19H,3H2,1-2H3,(H,20,21)
InChIKeyDVSYSMRNWDQLCS-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.45
Rot. Bonds5

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

2-(4-bromo-2-ethylanilino)-N-phenylpropanamide (PubChem CID 81288532) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-(4-bromo-2-ethylanilino)-N-phenylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-2-ethylanilino)-N-phenylpropanamide
PubChem CID81288532
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-(4-bromo-2-ethylanilino)-N-phenylpropanamide
SMILESCCc1cc(Br)ccc1NC(C)C(=O)Nc1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-3-13-11-14(18)9-10-16(13)19-12(2)17(21)20-15-7-5-4-6-8-15/h4-12,19H,3H2,1-2H3,(H,20,21)
InChIKeyDVSYSMRNWDQLCS-UHFFFAOYSA-N
XLogP4.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.45
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-methylanilino)-N-phenylpropanamide
CID 43084058
methyl 2-(4-bromo-2-ethylanilino)propanoate
CID 81291826
2-(2-bromoanilino)-N-phenylpropanamide
CID 43083790
2-(2-bromo-5-chloroanilino)-N-phenylpropanamide
CID 81281522
3-(4-bromo-2-ethylanilino)butan-2-ol
CID 81292425
1-(4-bromo-2-ethylphenyl)-3-(2-bromophenyl)urea
CID 17217802
N-(4-bromophenyl)-2-(4-ethylanilino)propanamide
CID 46799470
N-(4-bromo-2-ethylphenyl)-3-phenylprop-2-ynamide
CID 81003933
2-(2-chloroanilino)-N-phenylpropanamide
CID 43083833
(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide
CID 9273986
N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119727073

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-ethylanilino)-N-phenylpropanamide?
The IUPAC name of 2-(4-bromo-2-ethylanilino)-N-phenylpropanamide (CID 81288532) is 2-(4-bromo-2-ethylanilino)-N-phenylpropanamide.
What is the SMILES notation for 2-(4-bromo-2-ethylanilino)-N-phenylpropanamide?
The canonical SMILES for 2-(4-bromo-2-ethylanilino)-N-phenylpropanamide is CCc1cc(Br)ccc1NC(C)C(=O)Nc1ccccc1.
What is the InChIKey of 2-(4-bromo-2-ethylanilino)-N-phenylpropanamide?
The InChIKey is DVSYSMRNWDQLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-13-11-14(18)9-10-16(13)19-12(2)17(21)20-15-7-5-4-6-8-15/h4-12,19H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-bromo-2-ethylanilino)-N-phenylpropanamide?
2-(4-bromo-2-ethylanilino)-N-phenylpropanamide has a molecular weight of 347.26 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-ethylanilino)-N-phenylpropanamide is sourced from PubChem (CID 81288532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).