N-(4-bromophenyl)-2-(4-ethylanilino)propanamide

C17H19BrN2O — CID 46799470

IUPACN-(4-bromophenyl)-2-(4-ethylanilino)propanamide
SMILESCCc1ccc(NC(C)C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O/c1-3-13-4-8-15(9-5-13)19-12(2)17(21)20-16-10-6-14(18)7-11-16/h4-12,19H,3H2,1-2H3,(H,20,21)
InChIKeyIGSCMXYTQKFORZ-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.45
Rot. Bonds5

About N-(4-bromophenyl)-2-(4-ethylanilino)propanamide

N-(4-bromophenyl)-2-(4-ethylanilino)propanamide (PubChem CID 46799470) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-ethylanilino)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-ethylanilino)propanamide
PubChem CID46799470
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC NameN-(4-bromophenyl)-2-(4-ethylanilino)propanamide
SMILESCCc1ccc(NC(C)C(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H19BrN2O/c1-3-13-4-8-15(9-5-13)19-12(2)17(21)20-16-10-6-14(18)7-11-16/h4-12,19H,3H2,1-2H3,(H,20,21)
InChIKeyIGSCMXYTQKFORZ-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-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide
CID 13252290
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
(2S)-2-[4-(acetylsulfamoyl)anilino]-N-(4-ethylphenyl)propanamide
CID 2437234
N-cyclopropyl-4-[[1-(4-ethylanilino)-1-oxopropan-2-yl]amino]benzamide
CID 55511588
(2R)-N-(1,3-benzodioxol-5-yl)-2-(4-ethylanilino)propanamide
CID 7509615
(2R)-N-(4-bromophenyl)-2-(5-ethyl-2-methylpyridin-1-ium-1-yl)propanamide
CID 8861833
N-tert-butyl-2-(4-ethylanilino)propanamide
CID 45282110
(2R)-2-(4-ethylanilino)-N-prop-2-enylpropanamide
CID 28843279
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)propanamide
CID 46757541
(2R)-2-(4-ethylanilino)-N-prop-2-ynylpropanamide
CID 28884943
2-(4-bromoanilino)-N-prop-2-enylpropanamide
CID 43086744
N-(4-bromophenyl)-2-(3,4-dimethoxyanilino)propanamide
CID 78670435

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-ethylanilino)propanamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-ethylanilino)propanamide (CID 46799470) is N-(4-bromophenyl)-2-(4-ethylanilino)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-ethylanilino)propanamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-ethylanilino)propanamide is CCc1ccc(NC(C)C(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-ethylanilino)propanamide?
The InChIKey is IGSCMXYTQKFORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-3-13-4-8-15(9-5-13)19-12(2)17(21)20-16-10-6-14(18)7-11-16/h4-12,19H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromophenyl)-2-(4-ethylanilino)propanamide?
N-(4-bromophenyl)-2-(4-ethylanilino)propanamide 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 N-(4-bromophenyl)-2-(4-ethylanilino)propanamide is sourced from PubChem (CID 46799470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).