2-chloro-N-[(4-fluorophenyl)methyl]acetamide

C9H9ClFNO — CID 2303709

IUPAC2-chloro-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CCl)NCc1ccc(F)cc1
InChIInChI=1S/C9H9ClFNO/c10-5-9(13)12-6-7-1-3-8(11)4-2-7/h1-4H,5-6H2,(H,12,13)
InChIKeyKNOOZPRRCORIDE-UHFFFAOYSA-N
MW201.63 g/mol
LogP1.68
Rot. Bonds3

About 2-chloro-N-[(4-fluorophenyl)methyl]acetamide

2-chloro-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 2303709) has the molecular formula C9H9ClFNO and a molecular weight of 201.63 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID2303709
Molecular FormulaC9H9ClFNO
Molecular Weight201.63 g/mol
Exact Mass201.04
IUPAC Name2-chloro-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(CCl)NCc1ccc(F)cc1
InChIInChI=1S/C9H9ClFNO/c10-5-9(13)12-6-7-1-3-8(11)4-2-7/h1-4H,5-6H2,(H,12,13)
InChIKeyKNOOZPRRCORIDE-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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

2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide
CID 43146267
N-[(4-aminophenyl)methyl]-2-chloroacetamide
CID 21219637
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide
CID 108513981
2-chloro-N-[2-[(4-fluorophenyl)methylsulfamoyl]ethyl]acetamide
CID 146075739
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
N-[(4-fluorophenyl)methyl]-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997698
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
2-chloro-N-[[4-(4-phenylphenyl)phenyl]methyl]acetamide
CID 146595387
2-cyano-N-[(4-fluorophenyl)methyl]acetamide
CID 4183587
2-chloro-N-[[4-(cyanomethyl)phenyl]methyl]acetamide
CID 167866083
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 9295463

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-fluorophenyl)methyl]acetamide (CID 2303709) is 2-chloro-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-fluorophenyl)methyl]acetamide is O=C(CCl)NCc1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is KNOOZPRRCORIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFNO/c10-5-9(13)12-6-7-1-3-8(11)4-2-7/h1-4H,5-6H2,(H,12,13).
What are the key properties of 2-chloro-N-[(4-fluorophenyl)methyl]acetamide?
2-chloro-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 201.63 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 2303709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).