N-[(3-bromophenyl)methyl]-5-hydroxypentanamide

C12H16BrNO2 — CID 79209822

IUPACN-[(3-bromophenyl)methyl]-5-hydroxypentanamide
SMILESO=C(CCCCO)NCc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c13-11-5-3-4-10(8-11)9-14-12(16)6-1-2-7-15/h3-5,8,15H,1-2,6-7,9H2,(H,14,16)
InChIKeyDSWYAGPNGBUYSN-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.23
Rot. Bonds6

About N-[(3-bromophenyl)methyl]-5-hydroxypentanamide

N-[(3-bromophenyl)methyl]-5-hydroxypentanamide (PubChem CID 79209822) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5-hydroxypentanamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-5-hydroxypentanamide
PubChem CID79209822
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[(3-bromophenyl)methyl]-5-hydroxypentanamide
SMILESO=C(CCCCO)NCc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c13-11-5-3-4-10(8-11)9-14-12(16)6-1-2-7-15/h3-5,8,15H,1-2,6-7,9H2,(H,14,16)
InChIKeyDSWYAGPNGBUYSN-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(3-bromophenyl)methylamino]-5-oxopentanoate
CID 7330207
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
N-[(3-bromophenyl)methyl]-4-hydroxypentanamide
CID 79192945
18-hydroxy-N-[[4-[(18-hydroxyoctadecanoylamino)methyl]phenyl]methyl]octadecanamide
CID 101321590
5-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]pentanamide
CID 107910785
methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358
ethyl 4-[(3-bromophenyl)methylamino]-4-oxobutanoate
CID 60739512
N-[(3-bromophenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 78916794
N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570732
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
2-amino-N-[2-[(3-bromophenyl)methylamino]-2-oxoethyl]acetamide
CID 61401625
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5-hydroxypentanamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-5-hydroxypentanamide (CID 79209822) is N-[(3-bromophenyl)methyl]-5-hydroxypentanamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-5-hydroxypentanamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-5-hydroxypentanamide is O=C(CCCCO)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-5-hydroxypentanamide?
The InChIKey is DSWYAGPNGBUYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c13-11-5-3-4-10(8-11)9-14-12(16)6-1-2-7-15/h3-5,8,15H,1-2,6-7,9H2,(H,14,16).
What are the key properties of N-[(3-bromophenyl)methyl]-5-hydroxypentanamide?
N-[(3-bromophenyl)methyl]-5-hydroxypentanamide has a molecular weight of 286.17 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-5-hydroxypentanamide is sourced from PubChem (CID 79209822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).