N-(5-chloropentyl)-2-fluoro-4-methylbenzamide

C13H17ClFNO — CID 107320953

IUPACN-(5-chloropentyl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCCl)c(F)c1
InChIInChI=1S/C13H17ClFNO/c1-10-5-6-11(12(15)9-10)13(17)16-8-4-2-3-7-14/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyOPBQBBZKJUMRAS-UHFFFAOYSA-N
MW257.74 g/mol
LogP3.27
Rot. Bonds6

About N-(5-chloropentyl)-2-fluoro-4-methylbenzamide

N-(5-chloropentyl)-2-fluoro-4-methylbenzamide (PubChem CID 107320953) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is N-(5-chloropentyl)-2-fluoro-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-2-fluoro-4-methylbenzamide
PubChem CID107320953
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC NameN-(5-chloropentyl)-2-fluoro-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCCCCl)c(F)c1
InChIInChI=1S/C13H17ClFNO/c1-10-5-6-11(12(15)9-10)13(17)16-8-4-2-3-7-14/h5-6,9H,2-4,7-8H2,1H3,(H,16,17)
InChIKeyOPBQBBZKJUMRAS-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
CID 107322226
2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
2-bromo-N-(6-chlorohexyl)-5-methylbenzamide
CID 107846583
4-bromo-N-(5-chloropentyl)-2-fluorobenzamide
CID 107321212
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
2-bromo-N-(3-chloropropyl)-5-methylbenzamide
CID 81111537
N-(4-chlorobutyl)-2,3,4-trifluorobenzamide
CID 106845363
N-[[4-(chloromethyl)phenyl]methyl]-2-fluoro-4-methylbenzamide
CID 107233356
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
CID 82941071
4-bromo-N-(3-chloropropyl)-2-fluorobenzamide
CID 43133463
4-[(2-fluoro-4-methylbenzoyl)amino]-2,2-dimethylbutanoic acid
CID 114285479
6-[[2-fluoro-4-(4-methylphenyl)benzoyl]amino]hexanoic acid
CID 119220141

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-2-fluoro-4-methylbenzamide?
The IUPAC name of N-(5-chloropentyl)-2-fluoro-4-methylbenzamide (CID 107320953) is N-(5-chloropentyl)-2-fluoro-4-methylbenzamide.
What is the SMILES notation for N-(5-chloropentyl)-2-fluoro-4-methylbenzamide?
The canonical SMILES for N-(5-chloropentyl)-2-fluoro-4-methylbenzamide is Cc1ccc(C(=O)NCCCCCCl)c(F)c1.
What is the InChIKey of N-(5-chloropentyl)-2-fluoro-4-methylbenzamide?
The InChIKey is OPBQBBZKJUMRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-10-5-6-11(12(15)9-10)13(17)16-8-4-2-3-7-14/h5-6,9H,2-4,7-8H2,1H3,(H,16,17).
What are the key properties of N-(5-chloropentyl)-2-fluoro-4-methylbenzamide?
N-(5-chloropentyl)-2-fluoro-4-methylbenzamide has a molecular weight of 257.74 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-2-fluoro-4-methylbenzamide is sourced from PubChem (CID 107320953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).