3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide

C12H15ClN2O2 — CID 43146327

IUPAC3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide
SMILESCCN(C(=O)NC(=O)CCCl)c1ccccc1
InChIInChI=1S/C12H15ClN2O2/c1-2-15(10-6-4-3-5-7-10)12(17)14-11(16)8-9-13/h3-7H,2,8-9H2,1H3,(H,14,16,17)
InChIKeySFHMWCXLXNAEBM-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.38
Rot. Bonds4

About 3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide

3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide (PubChem CID 43146327) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide
PubChem CID43146327
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide
SMILESCCN(C(=O)NC(=O)CCCl)c1ccccc1
InChIInChI=1S/C12H15ClN2O2/c1-2-15(10-6-4-3-5-7-10)12(17)14-11(16)8-9-13/h3-7H,2,8-9H2,1H3,(H,14,16,17)
InChIKeySFHMWCXLXNAEBM-UHFFFAOYSA-N
XLogP2.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-chloroethyl)-1-ethyl-1-phenylurea
CID 71675641
4-[[ethyl(phenyl)carbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65300227
4-[[ethyl(pyridin-4-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 106936138
2-chloro-N-[ethyl-(3-methylphenyl)carbamoyl]acetamide
CID 61103967
5-[[ethyl-(3-methylphenyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61102427
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
2-[[ethyl(phenyl)carbamoyl]amino]butanoic acid
CID 61191471
3-[(2-chlorophenyl)methyl]-1-ethyl-1-phenylurea
CID 108897659
N-ethyl-N-phenyloctadecanamide
CID 151424183
3-(2,3-dichlorophenyl)-1-ethyl-1-phenylurea
CID 108991555
2-[[ethyl(phenyl)carbamoyl]amino]pentanedioic acid
CID 61191995
3-[[ethyl(phenyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62670102

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide (CID 43146327) is 3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide is CCN(C(=O)NC(=O)CCCl)c1ccccc1.
What is the InChIKey of 3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide?
The InChIKey is SFHMWCXLXNAEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-2-15(10-6-4-3-5-7-10)12(17)14-11(16)8-9-13/h3-7H,2,8-9H2,1H3,(H,14,16,17).
What are the key properties of 3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide?
3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide has a molecular weight of 254.72 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[ethyl(phenyl)carbamoyl]propanamide is sourced from PubChem (CID 43146327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).