5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide

C13H15ClF3NO2 — CID 43470712

IUPAC5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide
SMILESCOc1ccc(NC(=O)CCCCCl)cc1C(F)(F)F
InChIInChI=1S/C13H15ClF3NO2/c1-20-11-6-5-9(8-10(11)13(15,16)17)18-12(19)4-2-3-7-14/h5-6,8H,2-4,7H2,1H3,(H,18,19)
InChIKeyICLGYJMZPTWNMO-UHFFFAOYSA-N
MW309.72 g/mol
LogP4.06
Rot. Bonds6

About 5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide

5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide (PubChem CID 43470712) has the molecular formula C13H15ClF3NO2 and a molecular weight of 309.72 g/mol. Its IUPAC name is 5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide
PubChem CID43470712
Molecular FormulaC13H15ClF3NO2
Molecular Weight309.72 g/mol
Exact Mass309.07
IUPAC Name5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide
SMILESCOc1ccc(NC(=O)CCCCCl)cc1C(F)(F)F
InChIInChI=1S/C13H15ClF3NO2/c1-20-11-6-5-9(8-10(11)13(15,16)17)18-12(19)4-2-3-7-14/h5-6,8H,2-4,7H2,1H3,(H,18,19)
InChIKeyICLGYJMZPTWNMO-UHFFFAOYSA-N
XLogP4.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 54.06
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

4-chloro-N-[4-methyl-3-(trifluoromethyl)phenyl]butanamide
CID 63308876
4-chloro-N-(4-methoxy-3-methylphenyl)butanamide
CID 63308381
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3,4-dimethoxyphenyl)-5-fluoropentanamide
CID 24786653
5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide
CID 54967245
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
CID 18228282
5-(tert-butylsulfonylamino)-N-[3-methoxy-4-(trifluoromethyl)phenyl]pentanamide
CID 20629897
5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 2101244
3-chloro-1-[4-methoxy-3-(trifluoromethyl)phenyl]propan-1-one
CID 134626230
methyl 4-(5-chloropentanoylamino)benzoate
CID 11507300
N-(3-chloro-4-methoxyphenyl)-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 109008853

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of 5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide (CID 43470712) is 5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for 5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide is COc1ccc(NC(=O)CCCCCl)cc1C(F)(F)F.
What is the InChIKey of 5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is ICLGYJMZPTWNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClF3NO2/c1-20-11-6-5-9(8-10(11)13(15,16)17)18-12(19)4-2-3-7-14/h5-6,8H,2-4,7H2,1H3,(H,18,19).
What are the key properties of 5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide?
5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 309.72 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 43470712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).