3-bromo-4-methoxy-N-pentylbenzamide

C13H18BrNO2 — CID 60660286

IUPAC3-bromo-4-methoxy-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-3-4-5-8-15-13(16)10-6-7-12(17-2)11(14)9-10/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyHKNCUOMRGYXGQL-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.38
Rot. Bonds6

About 3-bromo-4-methoxy-N-pentylbenzamide

3-bromo-4-methoxy-N-pentylbenzamide (PubChem CID 60660286) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 3-bromo-4-methoxy-N-pentylbenzamide.

Molecular Properties

Compound Name3-bromo-4-methoxy-N-pentylbenzamide
PubChem CID60660286
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name3-bromo-4-methoxy-N-pentylbenzamide
SMILESCCCCCNC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C13H18BrNO2/c1-3-4-5-8-15-13(16)10-6-7-12(17-2)11(14)9-10/h6-7,9H,3-5,8H2,1-2H3,(H,15,16)
InChIKeyHKNCUOMRGYXGQL-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-4-methoxy-N-pentylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-N-(3-bromopropyl)-4-methoxybenzamide
CID 61033584
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-N-butyl-4-ethoxybenzamide
CID 17142993
3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide
CID 17233431
3-bromo-4-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 17218741
N-hexyl-4-hydroxy-3-methoxybenzamide
CID 177108145
3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide
CID 47029235
4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
3-bromo-4-methoxy-N-(propylcarbamothioyl)benzamide
CID 4925860
5-(hexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65397075

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methoxy-N-pentylbenzamide?
The IUPAC name of 3-bromo-4-methoxy-N-pentylbenzamide (CID 60660286) is 3-bromo-4-methoxy-N-pentylbenzamide.
What is the SMILES notation for 3-bromo-4-methoxy-N-pentylbenzamide?
The canonical SMILES for 3-bromo-4-methoxy-N-pentylbenzamide is CCCCCNC(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-4-methoxy-N-pentylbenzamide?
The InChIKey is HKNCUOMRGYXGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-3-4-5-8-15-13(16)10-6-7-12(17-2)11(14)9-10/h6-7,9H,3-5,8H2,1-2H3,(H,15,16).
What are the key properties of 3-bromo-4-methoxy-N-pentylbenzamide?
3-bromo-4-methoxy-N-pentylbenzamide has a molecular weight of 300.20 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methoxy-N-pentylbenzamide is sourced from PubChem (CID 60660286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).