5-chloro-N-hexyl-2-methoxybenzamide

C14H20ClNO2 — CID 4106403

IUPAC5-chloro-N-hexyl-2-methoxybenzamide
SMILESCCCCCCNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H20ClNO2/c1-3-4-5-6-9-16-14(17)12-10-11(15)7-8-13(12)18-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyCPJPUBZFIMSSIQ-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.66
Rot. Bonds7

About 5-chloro-N-hexyl-2-methoxybenzamide

5-chloro-N-hexyl-2-methoxybenzamide (PubChem CID 4106403) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 5-chloro-N-hexyl-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-hexyl-2-methoxybenzamide
PubChem CID4106403
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name5-chloro-N-hexyl-2-methoxybenzamide
SMILESCCCCCCNC(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H20ClNO2/c1-3-4-5-6-9-16-14(17)12-10-11(15)7-8-13(12)18-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeyCPJPUBZFIMSSIQ-UHFFFAOYSA-N
XLogP3.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.66
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

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3-(hexylcarbamoyl)-4-methoxybenzenesulfonyl chloride
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2-methoxy-N-tridecylbenzamide
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N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-chloro-2-methoxy-N-(3-methylbutyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-hexyl-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-hexyl-2-methoxybenzamide (CID 4106403) is 5-chloro-N-hexyl-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-hexyl-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-hexyl-2-methoxybenzamide is CCCCCCNC(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of 5-chloro-N-hexyl-2-methoxybenzamide?
The InChIKey is CPJPUBZFIMSSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-3-4-5-6-9-16-14(17)12-10-11(15)7-8-13(12)18-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-hexyl-2-methoxybenzamide?
5-chloro-N-hexyl-2-methoxybenzamide has a molecular weight of 269.77 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-hexyl-2-methoxybenzamide is sourced from PubChem (CID 4106403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).