3-chloro-N-(4-fluorophenyl)propanamide

C9H9ClFNO — CID 532056

IUPAC3-chloro-N-(4-fluorophenyl)propanamide
SMILESO=C(CCCl)Nc1ccc(F)cc1
InChIInChI=1S/C9H9ClFNO/c10-6-5-9(13)12-8-3-1-7(11)2-4-8/h1-4H,5-6H2,(H,12,13)
InChIKeyWXMWLNAPEHYULF-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.39
Rot. Bonds3

About 3-chloro-N-(4-fluorophenyl)propanamide

3-chloro-N-(4-fluorophenyl)propanamide (PubChem CID 532056) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 3-chloro-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(4-fluorophenyl)propanamide
PubChem CID532056
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name3-chloro-N-(4-fluorophenyl)propanamide
SMILESO=C(CCCl)Nc1ccc(F)cc1
InChIInChI=1S/C9H9ClFNO/c10-6-5-9(13)12-8-3-1-7(11)2-4-8/h1-4H,5-6H2,(H,12,13)
InChIKeyWXMWLNAPEHYULF-UHFFFAOYSA-N
XLogP2.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.63
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Acetanilide
CID 904
2-Methylacetanilide
CID 12107
4-Aminoacetanilide
CID 31230
N-(4-Chlorophenyl)acetamide
CID 10871
Chloroacetanilide
CID 11485
N-(3-Chlorophenyl)acetamide
CID 11493
2-Chloroacetoacetanilide
CID 160212
N-(4-Iodophenyl)acetamide
CID 12147
N-Phenylbutanamide
CID 14323
o-Chloroacetanilide
CID 10777
2,4'-Dichloroacetanilide
CID 94920
N-Phenylacrylamide
CID 221792

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-chloro-N-(4-fluorophenyl)propanamide (CID 532056) is 3-chloro-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-chloro-N-(4-fluorophenyl)propanamide is O=C(CCCl)Nc1ccc(F)cc1.
What is the InChIKey of 3-chloro-N-(4-fluorophenyl)propanamide?
The InChIKey is WXMWLNAPEHYULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-6-5-9(13)12-8-3-1-7(11)2-4-8/h1-4H,5-6H2,(H,12,13).
What are the key properties of 3-chloro-N-(4-fluorophenyl)propanamide?
3-chloro-N-(4-fluorophenyl)propanamide has a molecular weight of 201.63 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 532056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).