N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide

C13H17ClFNO2 — CID 107321246

IUPACN-(5-chloropentyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCCCCCCl
InChIInChI=1S/C13H17ClFNO2/c1-18-11-7-5-6-10(15)12(11)13(17)16-9-4-2-3-8-14/h5-7H,2-4,8-9H2,1H3,(H,16,17)
InChIKeyBCHUGKRVODVEAT-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.97
Rot. Bonds7

About N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide

N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide (PubChem CID 107321246) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-2-fluoro-6-methoxybenzamide
PubChem CID107321246
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC NameN-(5-chloropentyl)-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCCCCCCl
InChIInChI=1S/C13H17ClFNO2/c1-18-11-7-5-6-10(15)12(11)13(17)16-9-4-2-3-8-14/h5-7H,2-4,8-9H2,1H3,(H,16,17)
InChIKeyBCHUGKRVODVEAT-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107321513
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
N-[3-(ethylamino)propyl]-2-fluoro-6-methoxybenzamide
CID 65434428
5-[(2-fluoro-6-methoxybenzoyl)amino]-2-methylpentanoic acid
CID 104681666
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
N-(6-chlorohexyl)-2,6-dimethylbenzamide
CID 114026632
2-chloro-N-(5-chloropentyl)-3-fluorobenzamide
CID 107321260
N-(2,2-dimethoxyethyl)-2-fluoro-6-methoxybenzamide
CID 65434019
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174619
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
CID 119619869
2-fluoro-6-methoxy-N-(3-methyl-2-oxobutyl)benzamide
CID 65434403

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide (CID 107321246) is N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NCCCCCCl.
What is the InChIKey of N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide?
The InChIKey is BCHUGKRVODVEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-18-11-7-5-6-10(15)12(11)13(17)16-9-4-2-3-8-14/h5-7H,2-4,8-9H2,1H3,(H,16,17).
What are the key properties of N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide?
N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide has a molecular weight of 273.73 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 107321246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).