5-chloro-N-(2,5-difluorophenyl)pentanamide

C11H12ClF2NO — CID 28971528

IUPAC5-chloro-N-(2,5-difluorophenyl)pentanamide
SMILESO=C(CCCCCl)Nc1cc(F)ccc1F
InChIInChI=1S/C11H12ClF2NO/c12-6-2-1-3-11(16)15-10-7-8(13)4-5-9(10)14/h4-5,7H,1-3,6H2,(H,15,16)
InChIKeyRKHQNWPVJCDFPH-UHFFFAOYSA-N
MW247.67 g/mol
LogP3.31
Rot. Bonds5

About 5-chloro-N-(2,5-difluorophenyl)pentanamide

5-chloro-N-(2,5-difluorophenyl)pentanamide (PubChem CID 28971528) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is 5-chloro-N-(2,5-difluorophenyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2,5-difluorophenyl)pentanamide
PubChem CID28971528
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name5-chloro-N-(2,5-difluorophenyl)pentanamide
SMILESO=C(CCCCCl)Nc1cc(F)ccc1F
InChIInChI=1S/C11H12ClF2NO/c12-6-2-1-3-11(16)15-10-7-8(13)4-5-9(10)14/h4-5,7H,1-3,6H2,(H,15,16)
InChIKeyRKHQNWPVJCDFPH-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 53.31
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-bromo-N-(2,5-difluorophenyl)pentanamide
CID 103601723
5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide
CID 55143429
3-(5-chloropentanoylamino)-4-fluorobenzamide
CID 43698667
N-(2,5-difluorophenyl)-3-hydroxypropanamide
CID 68503422
3-(4-chlorobutanoylamino)-4-fluorobenzoic acid
CID 63307746
4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
CID 134059340
5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide
CID 54967245
N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide
CID 102853254
4-(4-bromophenoxy)-N-(2,5-difluorophenyl)butanamide
CID 26360943
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468
N-(5-chloro-2-fluorophenyl)-5-hydroxypentanamide
CID 79199616

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,5-difluorophenyl)pentanamide?
The IUPAC name of 5-chloro-N-(2,5-difluorophenyl)pentanamide (CID 28971528) is 5-chloro-N-(2,5-difluorophenyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2,5-difluorophenyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2,5-difluorophenyl)pentanamide is O=C(CCCCCl)Nc1cc(F)ccc1F.
What is the InChIKey of 5-chloro-N-(2,5-difluorophenyl)pentanamide?
The InChIKey is RKHQNWPVJCDFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c12-6-2-1-3-11(16)15-10-7-8(13)4-5-9(10)14/h4-5,7H,1-3,6H2,(H,15,16).
What are the key properties of 5-chloro-N-(2,5-difluorophenyl)pentanamide?
5-chloro-N-(2,5-difluorophenyl)pentanamide has a molecular weight of 247.67 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,5-difluorophenyl)pentanamide is sourced from PubChem (CID 28971528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).