4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid

C11H11ClN2O4 — CID 28746375

IUPAC4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H11ClN2O4/c12-7-3-1-2-4-8(7)13-11(18)14-9(15)5-6-10(16)17/h1-4H,5-6H2,(H,16,17)(H2,13,14,15,18)
InChIKeySKBONJPVPDEZAW-UHFFFAOYSA-N
MW270.67 g/mol
LogP1.85
Rot. Bonds4

About 4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid

4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid (PubChem CID 28746375) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid
PubChem CID28746375
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C11H11ClN2O4/c12-7-3-1-2-4-8(7)13-11(18)14-9(15)5-6-10(16)17/h1-4H,5-6H2,(H,16,17)(H2,13,14,15,18)
InChIKeySKBONJPVPDEZAW-UHFFFAOYSA-N
XLogP1.85
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-iodophenyl)carbamoylamino]-4-oxobutanoic acid
CID 28978481
5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931983
5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931571
4-[(2-chlorophenyl)carbamoylamino]butanoic acid
CID 28511695
6-[(2,5-dichlorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 43447201
4-[(4-chloro-2-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746604
1-(2-chlorophenyl)-3-(ethylcarbamoyl)urea
CID 12876419
1-carbamothioyl-3-(2-chlorophenyl)urea
CID 134087665
6-[(2-chloro-5-fluorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 107528879
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
N-(2-chlorophenyl)-4-[2-(2,2-diphenylacetyl)hydrazinyl]-4-oxobutanamide
CID 5120284

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid (CID 28746375) is 4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid is O=C(O)CCC(=O)NC(=O)Nc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid?
The InChIKey is SKBONJPVPDEZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c12-7-3-1-2-4-8(7)13-11(18)14-9(15)5-6-10(16)17/h1-4H,5-6H2,(H,16,17)(H2,13,14,15,18).
What are the key properties of 4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid?
4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid has a molecular weight of 270.67 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 28746375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).