5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide

C12H15ClFNO2 — CID 54967245

IUPAC5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide
SMILESCOc1cc(F)ccc1NC(=O)CCCCCl
InChIInChI=1S/C12H15ClFNO2/c1-17-11-8-9(14)5-6-10(11)15-12(16)4-2-3-7-13/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyJPGVCUBZWGAPIH-UHFFFAOYSA-N
MW259.71 g/mol
LogP3.18
Rot. Bonds6

About 5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide

5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide (PubChem CID 54967245) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is 5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide
PubChem CID54967245
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide
SMILESCOc1cc(F)ccc1NC(=O)CCCCCl
InChIInChI=1S/C12H15ClFNO2/c1-17-11-8-9(14)5-6-10(11)15-12(16)4-2-3-7-13/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKeyJPGVCUBZWGAPIH-UHFFFAOYSA-N
XLogP3.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 53.18
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

N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
5-chloro-N-(2,5-difluorophenyl)pentanamide
CID 28971528
3-(ethylamino)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 62835572
methyl 2-(4-chlorobutanoylamino)-5-fluorobenzoate
CID 63307711
5-chloro-1-(4-fluoro-2-methoxyphenyl)pentan-1-one
CID 146006797
3-chloro-N-[4-[4-(3-chloropropanoylamino)-3-methoxyphenyl]-2-methoxyphenyl]propanamide
CID 4135027
N-(4-fluoro-2-methoxyphenyl)-2-(2-methoxyphenyl)acetamide
CID 32608110
N-(4-fluoro-2-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanamide
CID 86926661
N-(4-fluoro-2-methoxyphenyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 86986097
5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide
CID 43470712
N-(4-chloro-2,5-dimethoxyphenyl)-4-(4-fluorophenoxy)butanamide
CID 86919968

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide?
The IUPAC name of 5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide (CID 54967245) is 5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide?
The canonical SMILES for 5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide is COc1cc(F)ccc1NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide?
The InChIKey is JPGVCUBZWGAPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-17-11-8-9(14)5-6-10(11)15-12(16)4-2-3-7-13/h5-6,8H,2-4,7H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide?
5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide has a molecular weight of 259.71 g/mol, XLogP of 3.18, 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-fluoro-2-methoxyphenyl)pentanamide is sourced from PubChem (CID 54967245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).