2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide

C12H13ClN2O4 — CID 60623246

IUPAC2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide
SMILESCC(=O)c1cc(Cl)ccc1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C12H13ClN2O4/c1-6(16)9-5-8(13)3-4-10(9)19-7(2)11(17)15-12(14)18/h3-5,7H,1-2H3,(H3,14,15,17,18)
InChIKeyIOHRFWBOCGQGLW-UHFFFAOYSA-N
MW284.70 g/mol
LogP1.50
Rot. Bonds4

About 2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide

2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide (PubChem CID 60623246) has the molecular formula C12H13ClN2O4 and a molecular weight of 284.70 g/mol. Its IUPAC name is 2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide.

Molecular Properties

Compound Name2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide
PubChem CID60623246
Molecular FormulaC12H13ClN2O4
Molecular Weight284.70 g/mol
Exact Mass284.06
IUPAC Name2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide
SMILESCC(=O)c1cc(Cl)ccc1OC(C)C(=O)NC(N)=O
InChIInChI=1S/C12H13ClN2O4/c1-6(16)9-5-8(13)3-4-10(9)19-7(2)11(17)15-12(14)18/h3-5,7H,1-2H3,(H3,14,15,17,18)
InChIKeyIOHRFWBOCGQGLW-UHFFFAOYSA-N
XLogP1.50
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
2-(2-bromo-4-chlorophenoxy)-N-carbamoylpropanamide
CID 3901807
(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
CID 2638136
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-amino-5-chlorobenzoate
CID 60626647
N-carbamoyl-2-[2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenoxy]propanamide
CID 43504970
(2S)-N-carbamoyl-2-(3,5-dichlorophenoxy)propanamide
CID 7848484
N-carbamoyl-2-(2-chloro-4-cyanophenoxy)propanamide
CID 60667398
5-chloro-2-[1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxybenzamide
CID 51263861
5-chloro-2-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 9362462
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239
2-(4-amino-2-methoxyphenoxy)-N-carbamoylpropanamide
CID 55036205
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4815395

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide?
The IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide (CID 60623246) is 2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide.
What is the SMILES notation for 2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide?
The canonical SMILES for 2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide is CC(=O)c1cc(Cl)ccc1OC(C)C(=O)NC(N)=O.
What is the InChIKey of 2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide?
The InChIKey is IOHRFWBOCGQGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O4/c1-6(16)9-5-8(13)3-4-10(9)19-7(2)11(17)15-12(14)18/h3-5,7H,1-2H3,(H3,14,15,17,18).
What are the key properties of 2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide?
2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide has a molecular weight of 284.70 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-chlorophenoxy)-N-carbamoylpropanamide is sourced from PubChem (CID 60623246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).