2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid

C15H9Cl4NO3 — CID 157035965

IUPAC2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1cc(Cl)c(C(=O)O)c(Cl)c1
InChIInChI=1S/C15H9Cl4NO3/c16-9-2-1-7(3-10(9)17)6-20-14(21)8-4-11(18)13(15(22)23)12(19)5-8/h1-5H,6H2,(H,20,21)(H,22,23)
InChIKeyGRZNCFIBHAVWGS-UHFFFAOYSA-N
MW393.05 g/mol
LogP4.93
Rot. Bonds4

About 2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid

2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid (PubChem CID 157035965) has the molecular formula C15H9Cl4NO3 and a molecular weight of 393.05 g/mol. Its IUPAC name is 2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid
PubChem CID157035965
Molecular FormulaC15H9Cl4NO3
Molecular Weight393.05 g/mol
Exact Mass390.93
IUPAC Name2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1cc(Cl)c(C(=O)O)c(Cl)c1
InChIInChI=1S/C15H9Cl4NO3/c16-9-2-1-7(3-10(9)17)6-20-14(21)8-4-11(18)13(15(22)23)12(19)5-8/h1-5H,6H2,(H,20,21)(H,22,23)
InChIKeyGRZNCFIBHAVWGS-UHFFFAOYSA-N
XLogP4.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.05
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
N-[(4-carbamothioylphenyl)methyl]-3,4-dichlorobenzamide
CID 62311218
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dichlorobenzamide
CID 776037
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
3,4-dichloro-N-[(2,4-diaminoquinazolin-6-yl)methyl]benzamide
CID 599695
N-[(3-chloro-4-fluorophenyl)methyl]benzamide
CID 62721837
N-[(3,4-dichlorophenyl)methyl]benzamide;(E)-3-pyridin-4-ylprop-2-enamide
CID 175587638
3-[(3,4-dichlorophenyl)methylcarbamoyl]-2-methoxybenzoic acid
CID 70676769
5-amino-N-[(3,4-dichlorophenyl)methyl]-2H-triazole-4-carboxamide
CID 70492189
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]benzoic acid
CID 62532100

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid?
The IUPAC name of 2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid (CID 157035965) is 2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid is O=C(NCc1ccc(Cl)c(Cl)c1)c1cc(Cl)c(C(=O)O)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid?
The InChIKey is GRZNCFIBHAVWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl4NO3/c16-9-2-1-7(3-10(9)17)6-20-14(21)8-4-11(18)13(15(22)23)12(19)5-8/h1-5H,6H2,(H,20,21)(H,22,23).
What are the key properties of 2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid?
2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid has a molecular weight of 393.05 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 157035965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).