2-bromo-3-methoxy-N-pentylbenzamide

C13H18BrNO2 — CID 172648074

IUPAC2-bromo-3-methoxy-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(OC)c1Br
InChIInChI=1S/C13H18BrNO2/c1-3-4-5-9-15-13(16)10-7-6-8-11(17-2)12(10)14/h6-8H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyUNMAGIYMVQARAI-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.38
Rot. Bonds6

About 2-bromo-3-methoxy-N-pentylbenzamide

2-bromo-3-methoxy-N-pentylbenzamide (PubChem CID 172648074) has the molecular formula C13H18BrNO2 and a molecular weight of 300.20 g/mol. Its IUPAC name is 2-bromo-3-methoxy-N-pentylbenzamide.

Molecular Properties

Compound Name2-bromo-3-methoxy-N-pentylbenzamide
PubChem CID172648074
Molecular FormulaC13H18BrNO2
Molecular Weight300.20 g/mol
Exact Mass299.05
IUPAC Name2-bromo-3-methoxy-N-pentylbenzamide
SMILESCCCCCNC(=O)c1cccc(OC)c1Br
InChIInChI=1S/C13H18BrNO2/c1-3-4-5-9-15-13(16)10-7-6-8-11(17-2)12(10)14/h6-8H,3-5,9H2,1-2H3,(H,15,16)
InChIKeyUNMAGIYMVQARAI-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'}

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Related Compounds

2-methoxy-N-tridecylbenzamide
CID 139819873
5-bromo-N-heptyl-2-methoxybenzamide
CID 17094234
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
2-bromo-N-(2,2-difluoroethyl)-3-methoxybenzamide
CID 172648061
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963
2,3-difluoro-N-pentylbenzamide
CID 62649821
4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
N-(6-bromohexyl)-2,3-dimethoxybenzamide
CID 107847510
N-hexyl-2,4,5-trimethoxybenzamide
CID 32646107
3-bromo-2-chloro-N-hexylbenzamide
CID 103975214
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methoxy-N-pentylbenzamide?
The IUPAC name of 2-bromo-3-methoxy-N-pentylbenzamide (CID 172648074) is 2-bromo-3-methoxy-N-pentylbenzamide.
What is the SMILES notation for 2-bromo-3-methoxy-N-pentylbenzamide?
The canonical SMILES for 2-bromo-3-methoxy-N-pentylbenzamide is CCCCCNC(=O)c1cccc(OC)c1Br.
What is the InChIKey of 2-bromo-3-methoxy-N-pentylbenzamide?
The InChIKey is UNMAGIYMVQARAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2/c1-3-4-5-9-15-13(16)10-7-6-8-11(17-2)12(10)14/h6-8H,3-5,9H2,1-2H3,(H,15,16).
What are the key properties of 2-bromo-3-methoxy-N-pentylbenzamide?
2-bromo-3-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 2-bromo-3-methoxy-N-pentylbenzamide is sourced from PubChem (CID 172648074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).