3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid

C14H10Cl2N2O3 — CID 4102909

IUPAC3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2N2O3/c15-11-5-4-10(7-12(11)16)18-14(21)17-9-3-1-2-8(6-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyRAPJIPXYCVHSNT-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.34
Rot. Bonds3

About 3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid

3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid (PubChem CID 4102909) has the molecular formula C14H10Cl2N2O3 and a molecular weight of 325.15 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid
PubChem CID4102909
Molecular FormulaC14H10Cl2N2O3
Molecular Weight325.15 g/mol
Exact Mass324.01
IUPAC Name3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10Cl2N2O3/c15-11-5-4-10(7-12(11)16)18-14(21)17-9-3-1-2-8(6-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21)
InChIKeyRAPJIPXYCVHSNT-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

1-(2-Carboxyphenyl)-3-(3-chlorophenyl)urea
CID 853792
Methyl 3-{[(4-chloroanilino)carbonyl]amino}benzoate
CID 2806336
3-{[(4-Chlorophenyl)carbamoyl]amino}benzoic acid
CID 2989360
1-(2-Carboxyphenyl)-3-(4-chlorophenyl)urea
CID 853791
4'-Chlorophthalanilic acid
CID 238009
2-{[(3,5-Dichlorophenyl)carbamoyl]amino}benzoic acid
CID 44631845
3-{[(4-Methylphenyl)carbamoyl]amino}benzoic acid
CID 4061431
Methyl 3-[(2,4-dichlorophenyl)carbamoylamino]benzoate
CID 2806337
3-{[(3-Chlorophenyl)carbamoyl]amino}benzoic acid
CID 2811511
2-[(3,4-Dichlorophenyl)carbamoylamino]benzoic acid
CID 853790
N-(3-Chlorophenyl)phthalamic acid
CID 221873
5-[(3-Carboxyacryloyl)amino]-2-chlorobenzoic acid
CID 5702338

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid (CID 4102909) is 3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid is O=C(Nc1cccc(C(=O)O)c1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid?
The InChIKey is RAPJIPXYCVHSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O3/c15-11-5-4-10(7-12(11)16)18-14(21)17-9-3-1-2-8(6-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid?
3-[(3,4-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 3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 4102909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).