3-chloro-N-(2-phenylethylcarbamoyl)propanamide

C12H15ClN2O2 — CID 43146230

IUPAC3-chloro-N-(2-phenylethylcarbamoyl)propanamide
SMILESO=C(CCCl)NC(=O)NCCc1ccccc1
InChIInChI=1S/C12H15ClN2O2/c13-8-6-11(16)15-12(17)14-9-7-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15,16,17)
InChIKeyWWCROQNNUOXFFL-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.68
Rot. Bonds5

About 3-chloro-N-(2-phenylethylcarbamoyl)propanamide

3-chloro-N-(2-phenylethylcarbamoyl)propanamide (PubChem CID 43146230) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-chloro-N-(2-phenylethylcarbamoyl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-phenylethylcarbamoyl)propanamide
PubChem CID43146230
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-chloro-N-(2-phenylethylcarbamoyl)propanamide
SMILESO=C(CCCl)NC(=O)NCCc1ccccc1
InChIInChI=1S/C12H15ClN2O2/c13-8-6-11(16)15-12(17)14-9-7-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15,16,17)
InChIKeyWWCROQNNUOXFFL-UHFFFAOYSA-N
XLogP1.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.68
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

5-oxo-5-(2-phenylethylcarbamoylamino)pentanoic acid
CID 28931773
3-chloro-N-[2-(2-fluorophenyl)ethylcarbamoyl]propanamide
CID 43146096
3-chloro-N-[2-(2-methylphenyl)ethylcarbamoyl]propanamide
CID 79755444
6-chloro-N-(2-phenylethyl)hexanamide
CID 154710700
1-(2-phenylethyl)-3-prop-1-en-2-ylurea
CID 108910178
N-benzyl-3-chloropropanamide
CID 10391
N-(2-phenylethylcarbamothioyl)butanamide
CID 5209312
4-oxo-4-(2-pyridin-3-ylethylcarbamoylamino)butanoic acid
CID 60914981
3-(benzylamino)-N-(2-phenylethyl)propanamide
CID 109018924
3-chloro-N-[2-(4-methylphenyl)ethyl]propanamide
CID 82110151
N-(2-phenylethyl)butanamide;sulfuryl dichloride
CID 163813551
potassium;N-benzyl-3-chloropropanamide;hydride
CID 173065814

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-phenylethylcarbamoyl)propanamide?
The IUPAC name of 3-chloro-N-(2-phenylethylcarbamoyl)propanamide (CID 43146230) is 3-chloro-N-(2-phenylethylcarbamoyl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-phenylethylcarbamoyl)propanamide?
The canonical SMILES for 3-chloro-N-(2-phenylethylcarbamoyl)propanamide is O=C(CCCl)NC(=O)NCCc1ccccc1.
What is the InChIKey of 3-chloro-N-(2-phenylethylcarbamoyl)propanamide?
The InChIKey is WWCROQNNUOXFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-8-6-11(16)15-12(17)14-9-7-10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,14,15,16,17).
What are the key properties of 3-chloro-N-(2-phenylethylcarbamoyl)propanamide?
3-chloro-N-(2-phenylethylcarbamoyl)propanamide has a molecular weight of 254.72 g/mol, XLogP of 1.68, 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-phenylethylcarbamoyl)propanamide is sourced from PubChem (CID 43146230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).