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

C9H9ClFNO — CID 3555695

IUPAC3-chloro-N-(3-fluorophenyl)propanamide
SMILESO=C(CCCl)Nc1cccc(F)c1
InChIInChI=1S/C9H9ClFNO/c10-5-4-9(13)12-8-3-1-2-7(11)6-8/h1-3,6H,4-5H2,(H,12,13)
InChIKeyNXEZFWIYWQILFE-UHFFFAOYSA-N
MW201.63 g/mol
LogP2.39
Rot. Bonds3

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

3-chloro-N-(3-fluorophenyl)propanamide (PubChem CID 3555695) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 3-chloro-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(3-fluorophenyl)propanamide
PubChem CID3555695
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name3-chloro-N-(3-fluorophenyl)propanamide
SMILESO=C(CCCl)Nc1cccc(F)c1
InChIInChI=1S/C9H9ClFNO/c10-5-4-9(13)12-8-3-1-2-7(11)6-8/h1-3,6H,4-5H2,(H,12,13)
InChIKeyNXEZFWIYWQILFE-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

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3-chloro-N-[3-(propanoylamino)phenyl]propanamide
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3-cyano-N-(3-fluorophenyl)propanamide
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4,4,4-trifluoro-N-(3-fluorophenyl)-3-oxobutanamide
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3-[[3-(3-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 43466320
3-(2,4-difluoroanilino)-N-(3-fluorophenyl)propanamide
CID 109042035
3-[bis(2-hydroxyethyl)amino]-N-(3-fluorophenyl)propanamide
CID 62022676
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
N-(3-fluorophenyl)-3-(4-methylanilino)propanamide
CID 109034497
3-(4-acetamidoanilino)-N-(3-fluorophenyl)propanamide
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N-(3-chloro-4-methylphenyl)-3-(3-fluoroanilino)propanamide
CID 109038643

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-chloro-N-(3-fluorophenyl)propanamide (CID 3555695) is 3-chloro-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-chloro-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-chloro-N-(3-fluorophenyl)propanamide is O=C(CCCl)Nc1cccc(F)c1.
What is the InChIKey of 3-chloro-N-(3-fluorophenyl)propanamide?
The InChIKey is NXEZFWIYWQILFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-5-4-9(13)12-8-3-1-2-7(11)6-8/h1-3,6H,4-5H2,(H,12,13).
What are the key properties of 3-chloro-N-(3-fluorophenyl)propanamide?
3-chloro-N-(3-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-(3-fluorophenyl)propanamide is sourced from PubChem (CID 3555695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).