N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide

C9H7ClFNO2 — CID 115166258

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide
SMILESO=CC(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H7ClFNO2/c10-7-3-6(1-2-8(7)11)4-12-9(14)5-13/h1-3,5H,4H2,(H,12,14)
InChIKeyCHILIZPFIWOKFC-UHFFFAOYSA-N
MW215.61 g/mol
LogP1.29
Rot. Bonds3

About N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide

N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide (PubChem CID 115166258) has the molecular formula C9H7ClFNO2 and a molecular weight of 215.61 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide
PubChem CID115166258
Molecular FormulaC9H7ClFNO2
Molecular Weight215.61 g/mol
Exact Mass215.01
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide
SMILESO=CC(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C9H7ClFNO2/c10-7-3-6(1-2-8(7)11)4-12-9(14)5-13/h1-3,5H,4H2,(H,12,14)
InChIKeyCHILIZPFIWOKFC-UHFFFAOYSA-N
XLogP1.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.61
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3-chloro-4-fluorophenyl)methyl]oxamide
CID 115191859
1-[(3-chloro-4-fluorophenyl)methyl]-3-methylurea
CID 115603858
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
CID 62538443
4-[(3-chloro-4-fluorophenyl)methylcarbamoylamino]-4-oxobut-2-enoic acid
CID 76946175
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3-trimethylbutanamide
CID 65266643
3-amino-N-[(3-chloro-4-fluorophenyl)methyl]-2,2-dimethylpropanamide
CID 81489065
1-[(3-chloro-4-fluorophenyl)methyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111338386
N-[(3-chloro-4-fluorophenyl)methyl]ethanamine
CID 62538918
2-anilino-N-[(3-chloro-4-fluorophenyl)methyl]acetamide
CID 62538297
N-[(3-chloro-4-fluorophenyl)methyl]-4-ethylbenzamide
CID 71822306
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride
CID 119280875

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide (CID 115166258) is N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide is O=CC(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide?
The InChIKey is CHILIZPFIWOKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFNO2/c10-7-3-6(1-2-8(7)11)4-12-9(14)5-13/h1-3,5H,4H2,(H,12,14).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide?
N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide has a molecular weight of 215.61 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 115166258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).