2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid

C14H9Cl3N2O3 — CID 91682684

IUPAC2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(Cl)c1)Nc1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3N2O3/c15-7-2-1-3-8(4-7)18-14(22)19-12-5-9(13(20)21)10(16)6-11(12)17/h1-6H,(H,20,21)(H2,18,19,22)
InChIKeyUJXMHIZVRBGDGK-UHFFFAOYSA-N
MW359.60 g/mol
LogP4.99
Rot. Bonds3

About 2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid

2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid (PubChem CID 91682684) has the molecular formula C14H9Cl3N2O3 and a molecular weight of 359.60 g/mol. Its IUPAC name is 2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid
PubChem CID91682684
Molecular FormulaC14H9Cl3N2O3
Molecular Weight359.60 g/mol
Exact Mass357.97
IUPAC Name2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(Cl)c1)Nc1cc(C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C14H9Cl3N2O3/c15-7-2-1-3-8(4-7)18-14(22)19-12-5-9(13(20)21)10(16)6-11(12)17/h1-6H,(H,20,21)(H2,18,19,22)
InChIKeyUJXMHIZVRBGDGK-UHFFFAOYSA-N
XLogP4.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.60
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-[(3-chlorophenyl)carbamoylamino]benzoic acid
CID 107049046
4-[(3-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 107793077
2-[(3-chlorophenyl)carbamoylamino]-5-nitrobenzoic acid
CID 16778187
1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea
CID 16777079
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea
CID 156854116
4-[(3-chlorophenyl)carbamoylamino]benzenesulfonic acid
CID 108869978
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea
CID 156854371
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
4-[(3-chlorophenyl)carbamoylamino]-1-methylpyrazole-5-carboxylic acid
CID 19447892

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid (CID 91682684) is 2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid is O=C(Nc1cccc(Cl)c1)Nc1cc(C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid?
The InChIKey is UJXMHIZVRBGDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2O3/c15-7-2-1-3-8(4-7)18-14(22)19-12-5-9(13(20)21)10(16)6-11(12)17/h1-6H,(H,20,21)(H2,18,19,22).
What are the key properties of 2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid?
2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid has a molecular weight of 359.60 g/mol, XLogP of 4.99, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(3-chlorophenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 91682684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).