3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide

C12H14ClFN2O2 — CID 43146096

IUPAC3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide
SMILESO=C(CCCl)NC(=O)NCCc1ccccc1F
InChIInChI=1S/C12H14ClFN2O2/c13-7-5-11(17)16-12(18)15-8-6-9-3-1-2-4-10(9)14/h1-4H,5-8H2,(H2,15,16,17,18)
InChIKeyPJVPVZHPAAINNX-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.82
Rot. Bonds5

About 3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide

3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide (PubChem CID 43146096) has the molecular formula C12H14ClFN2O2 and a molecular weight of 272.71 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide
PubChem CID43146096
Molecular FormulaC12H14ClFN2O2
Molecular Weight272.71 g/mol
Exact Mass272.07
IUPAC Name3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide
SMILESO=C(CCCl)NC(=O)NCCc1ccccc1F
InChIInChI=1S/C12H14ClFN2O2/c13-7-5-11(17)16-12(18)15-8-6-9-3-1-2-4-10(9)14/h1-4H,5-8H2,(H2,15,16,17,18)
InChIKeyPJVPVZHPAAINNX-UHFFFAOYSA-N
XLogP1.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.82
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

3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide
CID 79755444
5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 28931622
3-chloro-N-(2-phenylethylcarbamoyl)propanamide
CID 43146230
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
4-amino-N-[2-(2-fluorophenyl)ethylcarbamoyl]benzamide
CID 108900107
3-chloro-N-[(2-chlorophenyl)methylcarbamoyl]propanamide
CID 43146071
1-(2,6-dichlorophenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900131
N-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78990913
1-(2-ethylphenyl)-3-[2-(2-fluorophenyl)ethyl]urea
CID 108900106
1-[(E)-3,3-dimethylbut-1-enyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 108911582
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide (CID 43146096) is 3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide is O=C(CCCl)NC(=O)NCCc1ccccc1F.
What is the InChIKey of 3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide?
The InChIKey is PJVPVZHPAAINNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O2/c13-7-5-11(17)16-12(18)15-8-6-9-3-1-2-4-10(9)14/h1-4H,5-8H2,(H2,15,16,17,18).
What are the key properties of 3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide?
3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide has a molecular weight of 272.71 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide is sourced from PubChem (CID 43146096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).