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

C14H10Cl2N2O3 — CID 44631845

IUPAC2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H10Cl2N2O3/c15-8-5-9(16)7-10(6-8)17-14(21)18-12-4-2-1-3-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyPIWYMPXOKMFVER-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.34
Rot. Bonds3

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

2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid (PubChem CID 44631845) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid
PubChem CID44631845
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H10Cl2N2O3/c15-8-5-9(16)7-10(6-8)17-14(21)18-12-4-2-1-3-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyPIWYMPXOKMFVER-UHFFFAOYSA-N
XLogP4.34
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid (CID 44631845) is 2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid is O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid?
The InChIKey is PIWYMPXOKMFVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-8-5-9(16)7-10(6-8)17-14(21)18-12-4-2-1-3-11(12)13(19)20/h1-7H,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid?
2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid has a molecular weight of 325.15 g/mol, XLogP of 4.34, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 44631845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).