3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide

C12H15ClN2O3 — CID 54967319

IUPAC3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide
SMILESCCOc1cccc(NC(=O)NC(=O)CCCl)c1
InChIInChI=1S/C12H15ClN2O3/c1-2-18-10-5-3-4-9(8-10)14-12(17)15-11(16)6-7-13/h3-5,8H,2,6-7H2,1H3,(H2,14,15,16,17)
InChIKeyQMEADVXIWLVJDA-UHFFFAOYSA-N
MW270.72 g/mol
LogP2.36
Rot. Bonds5

About 3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide

3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide (PubChem CID 54967319) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide
PubChem CID54967319
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC Name3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide
SMILESCCOc1cccc(NC(=O)NC(=O)CCCl)c1
InChIInChI=1S/C12H15ClN2O3/c1-2-18-10-5-3-4-9(8-10)14-12(17)15-11(16)6-7-13/h3-5,8H,2,6-7H2,1H3,(H2,14,15,16,17)
InChIKeyQMEADVXIWLVJDA-UHFFFAOYSA-N
XLogP2.36
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(3-methoxyphenyl)carbamoyl]propanamide
CID 43146330
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
N-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
CID 11536518
2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046
[3-[(4-ethoxyphenyl)carbamoylamino]phenyl] acetate
CID 108865154
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
2-[(3-ethoxyphenyl)carbamoylamino]propanoic acid
CID 54967557

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide (CID 54967319) is 3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide is CCOc1cccc(NC(=O)NC(=O)CCCl)c1.
What is the InChIKey of 3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide?
The InChIKey is QMEADVXIWLVJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-2-18-10-5-3-4-9(8-10)14-12(17)15-11(16)6-7-13/h3-5,8H,2,6-7H2,1H3,(H2,14,15,16,17).
What are the key properties of 3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide?
3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide has a molecular weight of 270.72 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-ethoxyphenyl)carbamoyl]propanamide is sourced from PubChem (CID 54967319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).