5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide

C12H12ClF4NO — CID 55143429

IUPAC5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide
SMILESO=C(CCCCCl)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H12ClF4NO/c13-6-2-1-3-11(19)18-10-7-8(12(15,16)17)4-5-9(10)14/h4-5,7H,1-3,6H2,(H,18,19)
InChIKeyNLCSEMLVGSFJST-UHFFFAOYSA-N
MW297.68 g/mol
LogP4.19
Rot. Bonds5

About 5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide

5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide (PubChem CID 55143429) has the molecular formula C12H12ClF4NO and a molecular weight of 297.68 g/mol. Its IUPAC name is 5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide
PubChem CID55143429
Molecular FormulaC12H12ClF4NO
Molecular Weight297.68 g/mol
Exact Mass297.05
IUPAC Name5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide
SMILESO=C(CCCCCl)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H12ClF4NO/c13-6-2-1-3-11(19)18-10-7-8(12(15,16)17)4-5-9(10)14/h4-5,7H,1-3,6H2,(H,18,19)
InChIKeyNLCSEMLVGSFJST-UHFFFAOYSA-N
XLogP4.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.68
LogP ≤ 54.19
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

5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
4-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide
CID 60723512
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
3-[2-fluoro-5-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 63049503
3-(5-chloropentanoylamino)-4-fluorobenzamide
CID 43698667
3-(4-chlorobutanoylamino)-4-fluorobenzoic acid
CID 63307746
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120559768
5-amino-N-[2-hydroxy-5-(trifluoromethyl)phenyl]pentanamide
CID 81198138
5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82010864
2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 78953142
N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide
CID 102853254
2-chloro-N-[5-(1,1-difluoroethyl)-2-fluorophenyl]acetamide
CID 166428369

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide?
The IUPAC name of 5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide (CID 55143429) is 5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide?
The canonical SMILES for 5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide is O=C(CCCCCl)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide?
The InChIKey is NLCSEMLVGSFJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF4NO/c13-6-2-1-3-11(19)18-10-7-8(12(15,16)17)4-5-9(10)14/h4-5,7H,1-3,6H2,(H,18,19).
What are the key properties of 5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide?
5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide has a molecular weight of 297.68 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide is sourced from PubChem (CID 55143429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).