N-[(3-bromophenyl)methyl]-4-hydroxypentanamide

C12H16BrNO2 — CID 79192945

IUPACN-[(3-bromophenyl)methyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-9(15)5-6-12(16)14-8-10-3-2-4-11(13)7-10/h2-4,7,9,15H,5-6,8H2,1H3,(H,14,16)
InChIKeyQNQHJMNVEMKQFS-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.23
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-4-hydroxypentanamide

N-[(3-bromophenyl)methyl]-4-hydroxypentanamide (PubChem CID 79192945) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-4-hydroxypentanamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-4-hydroxypentanamide
PubChem CID79192945
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-[(3-bromophenyl)methyl]-4-hydroxypentanamide
SMILESCC(O)CCC(=O)NCc1cccc(Br)c1
InChIInChI=1S/C12H16BrNO2/c1-9(15)5-6-12(16)14-8-10-3-2-4-11(13)7-10/h2-4,7,9,15H,5-6,8H2,1H3,(H,14,16)
InChIKeyQNQHJMNVEMKQFS-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

4-amino-N-[(3-bromophenyl)methyl]-4-phenylbutanamide
CID 63324005
3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029524
N-[(3-bromophenyl)methyl]-5-hydroxypentanamide
CID 79209822
methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
5-[(3-bromophenyl)methylamino]-5-oxopentanoate
CID 7330207
ethyl 4-[(3-bromophenyl)methylamino]-4-oxobutanoate
CID 60739512
2-(3-bromophenyl)-N-[(3-methylphenyl)methyl]acetamide
CID 100699556
3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide
CID 64678020
4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide
CID 114332833
5-[(3-bromophenyl)methylcarbamoylamino]hexanoic acid
CID 82848910
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-4-hydroxypentanamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-4-hydroxypentanamide (CID 79192945) is N-[(3-bromophenyl)methyl]-4-hydroxypentanamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-4-hydroxypentanamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-4-hydroxypentanamide is CC(O)CCC(=O)NCc1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-4-hydroxypentanamide?
The InChIKey is QNQHJMNVEMKQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-9(15)5-6-12(16)14-8-10-3-2-4-11(13)7-10/h2-4,7,9,15H,5-6,8H2,1H3,(H,14,16).
What are the key properties of N-[(3-bromophenyl)methyl]-4-hydroxypentanamide?
N-[(3-bromophenyl)methyl]-4-hydroxypentanamide has a molecular weight of 286.17 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-4-hydroxypentanamide is sourced from PubChem (CID 79192945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).