N-(2-bromo-5-methoxyphenyl)pentanamide

C12H16BrNO2 — CID 62416800

IUPACN-(2-bromo-5-methoxyphenyl)pentanamide
SMILESCCCCC(=O)Nc1cc(OC)ccc1Br
InChIInChI=1S/C12H16BrNO2/c1-3-4-5-12(15)14-11-8-9(16-2)6-7-10(11)13/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyNASUGXOYOOCQIG-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.59
Rot. Bonds5

About N-(2-bromo-5-methoxyphenyl)pentanamide

N-(2-bromo-5-methoxyphenyl)pentanamide (PubChem CID 62416800) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is N-(2-bromo-5-methoxyphenyl)pentanamide.

Molecular Properties

Compound NameN-(2-bromo-5-methoxyphenyl)pentanamide
PubChem CID62416800
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC NameN-(2-bromo-5-methoxyphenyl)pentanamide
SMILESCCCCC(=O)Nc1cc(OC)ccc1Br
InChIInChI=1S/C12H16BrNO2/c1-3-4-5-12(15)14-11-8-9(16-2)6-7-10(11)13/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyNASUGXOYOOCQIG-UHFFFAOYSA-N
XLogP3.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N-(2-bromo-5-methoxyphenyl)-3-phenoxypropanamide
CID 62416404
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645
N-[4,8-dibromo-5-(pentanoylamino)naphthalen-1-yl]pentanamide
CID 118881902
N-(2-bromo-5-methylphenyl)decanamide
CID 82757665
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
(2S)-2-[(2-bromo-5-methoxyphenyl)carbamoylamino]hexanoic acid
CID 107146231
(2R)-2-amino-N-(2-bromo-5-methoxyphenyl)pentanamide
CID 113264050
N-(2-bromo-5-methoxyphenyl)-2-cyclobutylacetamide
CID 103707213
2-(heptanoylamino)-5-methoxybenzoic acid
CID 115410928
5-methoxy-2-(octanoylamino)benzoic acid
CID 78980039

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methoxyphenyl)pentanamide?
The IUPAC name of N-(2-bromo-5-methoxyphenyl)pentanamide (CID 62416800) is N-(2-bromo-5-methoxyphenyl)pentanamide.
What is the SMILES notation for N-(2-bromo-5-methoxyphenyl)pentanamide?
The canonical SMILES for N-(2-bromo-5-methoxyphenyl)pentanamide is CCCCC(=O)Nc1cc(OC)ccc1Br.
What is the InChIKey of N-(2-bromo-5-methoxyphenyl)pentanamide?
The InChIKey is NASUGXOYOOCQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-3-4-5-12(15)14-11-8-9(16-2)6-7-10(11)13/h6-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of N-(2-bromo-5-methoxyphenyl)pentanamide?
N-(2-bromo-5-methoxyphenyl)pentanamide has a molecular weight of 286.17 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methoxyphenyl)pentanamide is sourced from PubChem (CID 62416800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).