3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid

C14H10Cl2N2O3 — CID 107049046

IUPAC3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(Cl)c1)Nc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C14H10Cl2N2O3/c15-8-3-1-4-9(7-8)17-14(21)18-12-10(13(19)20)5-2-6-11(12)16/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyHTOYLAWHACETIC-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.34
Rot. Bonds3

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

3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid (PubChem CID 107049046) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid
PubChem CID107049046
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(Cl)c1)Nc1c(Cl)cccc1C(=O)O
InChIInChI=1S/C14H10Cl2N2O3/c15-8-3-1-4-9(7-8)17-14(21)18-12-10(13(19)20)5-2-6-11(12)16/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyHTOYLAWHACETIC-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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Related Compounds

2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid
CID 91682684
4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 107793077
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080
1-(3-chlorophenyl)-3-[3-[(3-chlorophenyl)carbamoylamino]-2,4,6-trimethylphenyl]urea
CID 4085959
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
3-bromo-2-[(4-chlorophenyl)carbamoylamino]benzoic acid
CID 63112769
CID 73055968
CID 73055968
CID 168763640
CID 168763640
1-[4-(3-chloroanilino)phenyl]-3-phenylurea
CID 112986987
2-[(3-chlorophenyl)carbamothioylamino]benzoic acid
CID 91687128
2-[(3-chlorophenyl)carbamoylamino]-5-nitrobenzoic acid
CID 16778187

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid (CID 107049046) is 3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid is O=C(Nc1cccc(Cl)c1)Nc1c(Cl)cccc1C(=O)O.
What is the InChIKey of 3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid?
The InChIKey is HTOYLAWHACETIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-8-3-1-4-9(7-8)17-14(21)18-12-10(13(19)20)5-2-6-11(12)16/h1-7H,(H,19,20)(H2,17,18,21).
What are the key properties of 3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid?
3-chloro-2-[(3-chlorophenyl)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 3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 107049046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).