N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide

C13H18BrNO2 — CID 79203736

IUPACN-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide
SMILESCC(C)(NC(=O)CCCO)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2/c1-13(2,15-12(17)4-3-9-16)10-5-7-11(14)8-6-10/h5-8,16H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyVNPFFBIDVSUYGR-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.57
Rot. Bonds5

About N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide

N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide (PubChem CID 79203736) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide
PubChem CID79203736
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC NameN-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide
SMILESCC(C)(NC(=O)CCCO)c1ccc(Br)cc1
InChIInChI=1S/C13H18BrNO2/c1-13(2,15-12(17)4-3-9-16)10-5-7-11(14)8-6-10/h5-8,16H,3-4,9H2,1-2H3,(H,15,17)
InChIKeyVNPFFBIDVSUYGR-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide
CID 63308093
6-[2-(4-bromophenyl)propan-2-ylamino]-6-oxohexanoic acid
CID 60941635
N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide
CID 60842935
3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
CID 54923979
N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide
CID 39613953
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 81076217
N-[2-(4-bromophenyl)propan-2-yl]but-2-enamide
CID 112727841
N-[2-(4-methylphenyl)propan-2-yl]-6,7-dioxoheptanamide
CID 174266948
2-(4-acetamidophenyl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
CID 39614047
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044
N-tert-butyl-4-hydroxybutanamide
CID 11829724

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide?
The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide (CID 79203736) is N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide.
What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide?
The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide is CC(C)(NC(=O)CCCO)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide?
The InChIKey is VNPFFBIDVSUYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-13(2,15-12(17)4-3-9-16)10-5-7-11(14)8-6-10/h5-8,16H,3-4,9H2,1-2H3,(H,15,17).
What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide?
N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide has a molecular weight of 300.20 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide is sourced from PubChem (CID 79203736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).