4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid

C15H13Cl2NO2 — CID 63513628

IUPAC4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
SMILESCN(Cc1cccc(Cl)c1)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H13Cl2NO2/c1-18(9-10-3-2-4-11(16)7-10)14-8-12(17)5-6-13(14)15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeySLVYIBPUBWWHNU-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.33
Rot. Bonds4

About 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid

4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid (PubChem CID 63513628) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
PubChem CID63513628
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid
SMILESCN(Cc1cccc(Cl)c1)c1cc(Cl)ccc1C(=O)O
InChIInChI=1S/C15H13Cl2NO2/c1-18(9-10-3-2-4-11(16)7-10)14-8-12(17)5-6-13(14)15(19)20/h2-8H,9H2,1H3,(H,19,20)
InChIKeySLVYIBPUBWWHNU-UHFFFAOYSA-N
XLogP4.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 63093863
5-chloro-2-[(4-chlorophenyl)methyl-methylamino]benzoic acid
CID 63513125
3-bromo-4-[(3-chlorophenyl)methyl-methylamino]benzoic acid
CID 82800905
4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 63081667
4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81036947
5-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzenecarbothioamide
CID 63518374
1-[2-amino-4-[(3-chlorophenyl)methyl-methylamino]phenyl]ethanone
CID 104528496
4-bromo-2-[(3-fluorophenyl)methyl-methylamino]benzoic acid
CID 43364770
2-[(3-chlorophenyl)methyl-methylamino]-4-methoxybenzenecarbothioamide
CID 81297786
4-chloro-2-[methyl(2-pyrrolidin-1-ylethyl)amino]benzoic acid
CID 63209038
2-[(3-chlorophenyl)methyl-methylamino]-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76939000
[4-[(3-chlorophenyl)methyl-methylamino]-3-methylphenyl]methanol
CID 62121892

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid?
The IUPAC name of 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid (CID 63513628) is 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid.
What is the SMILES notation for 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid?
The canonical SMILES for 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid is CN(Cc1cccc(Cl)c1)c1cc(Cl)ccc1C(=O)O.
What is the InChIKey of 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid?
The InChIKey is SLVYIBPUBWWHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-18(9-10-3-2-4-11(16)7-10)14-8-12(17)5-6-13(14)15(19)20/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid?
4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid has a molecular weight of 310.18 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzoic acid is sourced from PubChem (CID 63513628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).