3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid

C15H10Cl2N2O4 — CID 11559416

IUPAC3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C15H10Cl2N2O4/c16-10-4-2-1-3-9(10)13(20)19-15(23)18-12-6-5-8(14(21)22)7-11(12)17/h1-7H,(H,21,22)(H2,18,19,20,23)
InChIKeyAWDOJDISIPZTPA-UHFFFAOYSA-N
MW353.16 g/mol
LogP3.65
Rot. Bonds3

About 3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid

3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid (PubChem CID 11559416) has the molecular formula C15H10Cl2N2O4 and a molecular weight of 353.16 g/mol. Its IUPAC name is 3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid
PubChem CID11559416
Molecular FormulaC15H10Cl2N2O4
Molecular Weight353.16 g/mol
Exact Mass352.00
IUPAC Name3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid
SMILESO=C(NC(=O)c1ccccc1Cl)Nc1ccc(C(=O)O)cc1Cl
InChIInChI=1S/C15H10Cl2N2O4/c16-10-4-2-1-3-9(10)13(20)19-15(23)18-12-6-5-8(14(21)22)7-11(12)17/h1-7H,(H,21,22)(H2,18,19,20,23)
InChIKeyAWDOJDISIPZTPA-UHFFFAOYSA-N
XLogP3.65
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid (CID 11559416) is 3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid is O=C(NC(=O)c1ccccc1Cl)Nc1ccc(C(=O)O)cc1Cl.
What is the InChIKey of 3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid?
The InChIKey is AWDOJDISIPZTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O4/c16-10-4-2-1-3-9(10)13(20)19-15(23)18-12-6-5-8(14(21)22)7-11(12)17/h1-7H,(H,21,22)(H2,18,19,20,23).
What are the key properties of 3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid?
3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid has a molecular weight of 353.16 g/mol, XLogP of 3.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2-chlorobenzoyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 11559416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).