5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide

C14H18BrNO3 — CID 110428172

IUPAC5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide
SMILESCC(CO)NC(=O)CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO3/c1-10(9-17)16-14(19)4-2-3-13(18)11-5-7-12(15)8-6-11/h5-8,10,17H,2-4,9H2,1H3,(H,16,19)
InChIKeyHLALCDHITNPVTE-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.30
Rot. Bonds7

About 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide

5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide (PubChem CID 110428172) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide
PubChem CID110428172
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide
SMILESCC(CO)NC(=O)CCCC(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H18BrNO3/c1-10(9-17)16-14(19)4-2-3-13(18)11-5-7-12(15)8-6-11/h5-8,10,17H,2-4,9H2,1H3,(H,16,19)
InChIKeyHLALCDHITNPVTE-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-bromophenyl)-N-butan-2-yl-5-oxopentanamide
CID 110406862
5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)pentanamide
CID 110893974
3-(4-bromophenoxy)-N-(1-hydroxypropan-2-yl)propanamide
CID 43427807
2-(4-bromophenyl)sulfanyl-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79031085
4-(3,4-dimethylphenyl)-N-(1-hydroxypropan-2-yl)-4-oxobutanamide
CID 78856614
N-(4-acetylphenyl)-5-(4-bromophenyl)-5-oxopentanamide
CID 110423647
1-(4-bromophenyl)pentan-1-one;2-fluoropropane
CID 143849337
1-(4-bromophenyl)-4-(3-hydroxy-2-methylpropyl)sulfanylbutan-1-one
CID 66104959
methyl (2S)-2-[[5-[[2-(4-bromophenyl)-2-oxoethyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoate
CID 67991469
2-(4-bromo-2-methylphenyl)-N-(1-hydroxypropan-2-yl)acetamide
CID 110005910
2-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-3-methylpentanamide
CID 78773233
4-[(S)-(4-bromophenyl)sulfinyl]-N-[(2R)-butan-2-yl]butanamide
CID 95323144

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide (CID 110428172) is 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide is CC(CO)NC(=O)CCCC(=O)c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide?
The InChIKey is HLALCDHITNPVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-10(9-17)16-14(19)4-2-3-13(18)11-5-7-12(15)8-6-11/h5-8,10,17H,2-4,9H2,1H3,(H,16,19).
What are the key properties of 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide?
5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide has a molecular weight of 328.21 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-oxopentanamide is sourced from PubChem (CID 110428172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).