5-chloro-N-(3,5-difluorophenyl)pentanamide

C11H12ClF2NO — CID 28733613

IUPAC5-chloro-N-(3,5-difluorophenyl)pentanamide
SMILESO=C(CCCCCl)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H12ClF2NO/c12-4-2-1-3-11(16)15-10-6-8(13)5-9(14)7-10/h5-7H,1-4H2,(H,15,16)
InChIKeyGQUSVJMOPNCIJG-UHFFFAOYSA-N
MW247.67 g/mol
LogP3.31
Rot. Bonds5

About 5-chloro-N-(3,5-difluorophenyl)pentanamide

5-chloro-N-(3,5-difluorophenyl)pentanamide (PubChem CID 28733613) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is 5-chloro-N-(3,5-difluorophenyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(3,5-difluorophenyl)pentanamide
PubChem CID28733613
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Name5-chloro-N-(3,5-difluorophenyl)pentanamide
SMILESO=C(CCCCCl)Nc1cc(F)cc(F)c1
InChIInChI=1S/C11H12ClF2NO/c12-4-2-1-3-11(16)15-10-6-8(13)5-9(14)7-10/h5-7H,1-4H2,(H,15,16)
InChIKeyGQUSVJMOPNCIJG-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

4-amino-N-(3,5-difluorophenyl)butanamide
CID 24703565
5-chloro-N-(3,4-difluorophenyl)pentanamide
CID 28971468
N-(3,5-difluorophenyl)butanamide
CID 17271988
N-(4-bromo-3-fluorophenyl)-5-chloropentanamide
CID 65436710
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
CID 17271736
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
methyl 5-(3-chloro-5-fluoroanilino)-5-oxopentanoate
CID 86817129
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
N-(3,5-difluorophenyl)-3-oxobutanamide
CID 18072687
N-(5-bromo-2,4-difluorophenyl)-5-chloropentanamide
CID 102853254
5-chloro-N-[2-(3-fluorophenoxy)pyrimidin-5-yl]pentanamide
CID 162507399

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-difluorophenyl)pentanamide?
The IUPAC name of 5-chloro-N-(3,5-difluorophenyl)pentanamide (CID 28733613) is 5-chloro-N-(3,5-difluorophenyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(3,5-difluorophenyl)pentanamide?
The canonical SMILES for 5-chloro-N-(3,5-difluorophenyl)pentanamide is O=C(CCCCCl)Nc1cc(F)cc(F)c1.
What is the InChIKey of 5-chloro-N-(3,5-difluorophenyl)pentanamide?
The InChIKey is GQUSVJMOPNCIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c12-4-2-1-3-11(16)15-10-6-8(13)5-9(14)7-10/h5-7H,1-4H2,(H,15,16).
What are the key properties of 5-chloro-N-(3,5-difluorophenyl)pentanamide?
5-chloro-N-(3,5-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-(3,5-difluorophenyl)pentanamide is sourced from PubChem (CID 28733613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).