N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide

C19H18BrNO3 — CID 110423647

IUPACN-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide
SMILESCC(=O)c1ccc(NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H18BrNO3/c1-13(22)14-7-11-17(12-8-14)21-19(24)4-2-3-18(23)15-5-9-16(20)10-6-15/h5-12H,2-4H2,1H3,(H,21,24)
InChIKeyOLXQKHFFHCOMDZ-UHFFFAOYSA-N
MW388.26 g/mol
LogP4.64
Rot. Bonds7

About N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide

N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide (PubChem CID 110423647) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide
PubChem CID110423647
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC NameN-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide
SMILESCC(=O)c1ccc(NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H18BrNO3/c1-13(22)14-7-11-17(12-8-14)21-19(24)4-2-3-18(23)15-5-9-16(20)10-6-15/h5-12H,2-4H2,1H3,(H,21,24)
InChIKeyOLXQKHFFHCOMDZ-UHFFFAOYSA-N
XLogP4.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetamide
CID 5085970
methyl 4-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]benzoate
CID 1347180
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
4-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
CID 34542934
(5Z)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide
CID 5388120
5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopentanamide
CID 110429046
N-(4-acetylphenyl)-5-aminohexanamide
CID 82852023
1-[4-(4-bromoanilino)phenyl]ethanone
CID 11543832
5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide
CID 110428172
5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide
CID 110406862
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide?
The IUPAC name of N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide (CID 110423647) is N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide?
The canonical SMILES for N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide is CC(=O)c1ccc(NC(=O)CCCC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide?
The InChIKey is OLXQKHFFHCOMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO3/c1-13(22)14-7-11-17(12-8-14)21-19(24)4-2-3-18(23)15-5-9-16(20)10-6-15/h5-12H,2-4H2,1H3,(H,21,24).
What are the key properties of N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide?
N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide has a molecular weight of 388.26 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide is sourced from PubChem (CID 110423647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).