5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid

C12H12Cl2N2O4 — CID 28931983

IUPAC5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2N2O4/c13-7-3-1-4-8(11(7)14)15-12(20)16-9(17)5-2-6-10(18)19/h1,3-4H,2,5-6H2,(H,18,19)(H2,15,16,17,20)
InChIKeySVZMBASZPSILKN-UHFFFAOYSA-N
MW319.14 g/mol
LogP2.90
Rot. Bonds5

About 5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid

5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 28931983) has the molecular formula C12H12Cl2N2O4 and a molecular weight of 319.14 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID28931983
Molecular FormulaC12H12Cl2N2O4
Molecular Weight319.14 g/mol
Exact Mass318.02
IUPAC Name5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C12H12Cl2N2O4/c13-7-3-1-4-8(11(7)14)15-12(20)16-9(17)5-2-6-10(18)19/h1,3-4H,2,5-6H2,(H,18,19)(H2,15,16,17,20)
InChIKeySVZMBASZPSILKN-UHFFFAOYSA-N
XLogP2.90
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chloro-2-methylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931571
4-[(2-chlorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 28746375
N,N'-bis(2,3-dichlorophenyl)dodecanediamide
CID 3641487
4-[[2-(2,3-dichloroanilino)-2-oxoethyl]amino]butanoic acid
CID 43473554
6-[(2,5-dichlorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 43447201
2-[(2,3-dichlorophenyl)carbamoylamino]acetic acid
CID 28508177
5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396608
5-[(2-methoxyphenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931546
5-(2,3-dichloroanilino)pentanoic acid
CID 28972138
6-[(2-chloro-5-fluorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 107528879
5-bromo-N-(2,3-dichlorophenyl)pentanamide
CID 103601714
6-[(3-chlorophenyl)carbamoylamino]-6-oxohexanoic acid
CID 43447317

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid (CID 28931983) is 5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is SVZMBASZPSILKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O4/c13-7-3-1-4-8(11(7)14)15-12(20)16-9(17)5-2-6-10(18)19/h1,3-4H,2,5-6H2,(H,18,19)(H2,15,16,17,20).
What are the key properties of 5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid?
5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 319.14 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 28931983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).