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

C10H10ClFN2O2 — CID 43146267

IUPAC2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide
SMILESO=C(CCl)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C10H10ClFN2O2/c11-5-9(15)14-10(16)13-6-7-1-3-8(12)4-2-7/h1-4H,5-6H2,(H2,13,14,15,16)
InChIKeyUCZRGWGOLZUQFT-UHFFFAOYSA-N
MW244.65 g/mol
LogP1.39
Rot. Bonds3

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

2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide (PubChem CID 43146267) has the molecular formula C10H10ClFN2O2 and a molecular weight of 244.65 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide
PubChem CID43146267
Molecular FormulaC10H10ClFN2O2
Molecular Weight244.65 g/mol
Exact Mass244.04
IUPAC Name2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide
SMILESO=C(CCl)NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C10H10ClFN2O2/c11-5-9(15)14-10(16)13-6-7-1-3-8(12)4-2-7/h1-4H,5-6H2,(H2,13,14,15,16)
InChIKeyUCZRGWGOLZUQFT-UHFFFAOYSA-N
XLogP1.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-fluorophenyl)methyl]acetamide
CID 2303709
6-[(4-fluorophenyl)methylcarbamoylamino]-6-oxohexanoic acid
CID 43447329
N-(2-chloroethyl)-N'-[(4-fluorophenyl)methyl]oxamide
CID 108513981
1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]urea
CID 46555601
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27083840
1-tert-butyl-3-[(4-fluorophenyl)methyl]urea
CID 59397344
1-[(3-fluoro-4-methylphenyl)methyl]-3-[(4-fluorophenyl)methyl]urea
CID 38949085
1-[(4-fluorophenyl)methyl]-3-pentylurea
CID 38154712
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide (CID 43146267) is 2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide is O=C(CCl)NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide?
The InChIKey is UCZRGWGOLZUQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O2/c11-5-9(15)14-10(16)13-6-7-1-3-8(12)4-2-7/h1-4H,5-6H2,(H2,13,14,15,16).
What are the key properties of 2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide?
2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide has a molecular weight of 244.65 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-fluorophenyl)methylcarbamoyl]acetamide is sourced from PubChem (CID 43146267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).