N-(4-chloropentyl)-2-(trifluoromethyl)benzamide

C13H15ClF3NO — CID 106129608

IUPACN-(4-chloropentyl)-2-(trifluoromethyl)benzamide
SMILESCC(Cl)CCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15ClF3NO/c1-9(14)5-4-8-18-12(19)10-6-2-3-7-11(10)13(15,16)17/h2-3,6-7,9H,4-5,8H2,1H3,(H,18,19)
InChIKeySUALKKDCSOERFP-UHFFFAOYSA-N
MW293.72 g/mol
LogP3.84
Rot. Bonds5

About N-(4-chloropentyl)-2-(trifluoromethyl)benzamide

N-(4-chloropentyl)-2-(trifluoromethyl)benzamide (PubChem CID 106129608) has the molecular formula C13H15ClF3NO and a molecular weight of 293.72 g/mol. Its IUPAC name is N-(4-chloropentyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-2-(trifluoromethyl)benzamide
PubChem CID106129608
Molecular FormulaC13H15ClF3NO
Molecular Weight293.72 g/mol
Exact Mass293.08
IUPAC NameN-(4-chloropentyl)-2-(trifluoromethyl)benzamide
SMILESCC(Cl)CCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15ClF3NO/c1-9(14)5-4-8-18-12(19)10-6-2-3-7-11(10)13(15,16)17/h2-3,6-7,9H,4-5,8H2,1H3,(H,18,19)
InChIKeySUALKKDCSOERFP-UHFFFAOYSA-N
XLogP3.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 53.84
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

N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 106152852
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412
N-octadecyl-2-(trifluoromethyl)benzamide
CID 91726413
N-(4-chloropentyl)-2-iodobenzamide
CID 106129201
N-(4-aminobutyl)-2-(trifluoromethyl)benzamide
CID 60894679
N-[2-(2-ethylbutanoylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 108542412
N-(2-chloro-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 107157383
2,3-dichloro-N-(4-chloropentyl)benzamide
CID 106129757
4-methyl-5-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 82009837
N-(4-chloropentyl)-2,3,4-trifluorobenzamide
CID 106129404
N-(2-chloro-4,4-dimethylpentyl)-2-(trifluoromethyl)benzamide
CID 107156990
2,3,4-trifluoro-N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108542423

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-chloropentyl)-2-(trifluoromethyl)benzamide (CID 106129608) is N-(4-chloropentyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-chloropentyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-chloropentyl)-2-(trifluoromethyl)benzamide is CC(Cl)CCCNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(4-chloropentyl)-2-(trifluoromethyl)benzamide?
The InChIKey is SUALKKDCSOERFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO/c1-9(14)5-4-8-18-12(19)10-6-2-3-7-11(10)13(15,16)17/h2-3,6-7,9H,4-5,8H2,1H3,(H,18,19).
What are the key properties of N-(4-chloropentyl)-2-(trifluoromethyl)benzamide?
N-(4-chloropentyl)-2-(trifluoromethyl)benzamide has a molecular weight of 293.72 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 106129608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).