4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid

C20H10Cl4FNO3 — CID 54590862

IUPAC4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1c(F)cc(-c2ccccc2Cl)cc1Cl
InChIInChI=1S/C20H10Cl4FNO3/c21-13-4-2-1-3-10(13)9-5-16(24)18(17(25)6-9)26-19(27)11-7-14(22)15(23)8-12(11)20(28)29/h1-8H,(H,26,27)(H,28,29)
InChIKeyGGJPSQSAMUBJSM-UHFFFAOYSA-N
MW473.11 g/mol
LogP7.06
Rot. Bonds4

About 4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid

4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid (PubChem CID 54590862) has the molecular formula C20H10Cl4FNO3 and a molecular weight of 473.11 g/mol. Its IUPAC name is 4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid
PubChem CID54590862
Molecular FormulaC20H10Cl4FNO3
Molecular Weight473.11 g/mol
Exact Mass470.94
IUPAC Name4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid
SMILESO=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1c(F)cc(-c2ccccc2Cl)cc1Cl
InChIInChI=1S/C20H10Cl4FNO3/c21-13-4-2-1-3-10(13)9-5-16(24)18(17(25)6-9)26-19(27)11-7-14(22)15(23)8-12(11)20(28)29/h1-8H,(H,26,27)(H,28,29)
InChIKeyGGJPSQSAMUBJSM-UHFFFAOYSA-N
XLogP7.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.11
LogP ≤ 57.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid with MolForge

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Related Compounds

2-[[2-chloro-4-(3-ethoxyphenyl)-6-fluorophenyl]carbamoyl]benzoic acid;4,5-dichloro-2-[[2-chloro-4-(3-ethoxyphenyl)-6-fluorophenyl]carbamoyl]benzoic acid
CID 158060070
2-[[2-chloro-6-fluoro-4-[3-(2-methylpropoxy)phenyl]phenyl]carbamoyl]benzoic acid;2-[[2,6-dichloro-4-(2-chlorophenyl)phenyl]carbamoyl]benzoic acid;2-[[2,6-difluoro-4-(2-fluorophenyl)phenyl]carbamoyl]benzoic acid
CID 159257354
2-[(2,6-dichloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 83078029
3-chloro-2-[(2,5-dichlorobenzoyl)amino]benzoic acid
CID 107047080
N-(2,6-dichlorophenyl)-2-phenylbenzamide
CID 2227339
N-(2-chloro-4,6-difluorophenyl)-2,3-difluorobenzamide
CID 82890016
2-[(2,3-dichlorobenzoyl)amino]-3-fluorobenzoic acid
CID 81497353
2-[(4-bromo-2,6-difluorophenyl)carbamoyl]benzoic acid
CID 65470052
4,5-dichloro-2-[(4-hydroxyphenyl)carbamoyl]benzoic acid
CID 871568
N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide
CID 60651805
2-[(2-bromo-3-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107046859
5-chloro-2-[(3-chloro-2-fluorobenzoyl)amino]benzoic acid
CID 81265567

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid?
The IUPAC name of 4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid (CID 54590862) is 4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid?
The canonical SMILES for 4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid is O=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1c(F)cc(-c2ccccc2Cl)cc1Cl.
What is the InChIKey of 4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid?
The InChIKey is GGJPSQSAMUBJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl4FNO3/c21-13-4-2-1-3-10(13)9-5-16(24)18(17(25)6-9)26-19(27)11-7-14(22)15(23)8-12(11)20(28)29/h1-8H,(H,26,27)(H,28,29).
What are the key properties of 4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid?
4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid has a molecular weight of 473.11 g/mol, XLogP of 7.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[[2-chloro-4-(2-chlorophenyl)-6-fluorophenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 54590862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).