4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride

C15H14Cl3NO2 — CID 11948782

IUPAC4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(CNCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO2.ClH/c16-13-6-5-12(14(17)7-13)9-18-8-10-1-3-11(4-2-10)15(19)20;/h1-7,18H,8-9H2,(H,19,20);1H
InChIKeyCQGOJRWCIQWICE-UHFFFAOYSA-N
MW346.64 g/mol
LogP4.40
Rot. Bonds5

About 4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride

4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride (PubChem CID 11948782) has the molecular formula C15H14Cl3NO2 and a molecular weight of 346.64 g/mol. Its IUPAC name is 4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride.

Molecular Properties

Compound Name4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride
PubChem CID11948782
Molecular FormulaC15H14Cl3NO2
Molecular Weight346.64 g/mol
Exact Mass345.01
IUPAC Name4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride
SMILESCl.O=C(O)c1ccc(CNCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO2.ClH/c16-13-6-5-12(14(17)7-13)9-18-8-10-1-3-11(4-2-10)15(19)20;/h1-7,18H,8-9H2,(H,19,20);1H
InChIKeyCQGOJRWCIQWICE-UHFFFAOYSA-N
XLogP4.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.64
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-((Benzylamino)methyl)benzoic acid
CID 275548
4-{[(4-Fluorobenzyl)amino]methyl}benzoic acid hydrochloride
CID 2985197
4-{[(3-Chlorobenzyl)amino]methyl}benzoic acid hydrochloride
CID 2989456
4-[[(4-Tert-butylbenzoyl)amino]methyl]-3-chlorobenzoic acid
CID 137641372
4-[[(4-Tert-butylbenzoyl)amino]methyl]-2-chlorobenzoic acid
CID 137644141
Ammonium, benzyltriethyl-, 2,4-dichlorobenzoate
CID 52128
2'-(2-Chloro-benzylcarbamoyl)-biphenyl-2-carboxylic acid
CID 1431344
4-(((2-Fluorobenzyl)amino)methyl)benzoic acid hydrochloride
CID 2986355
4-{[(4-Chlorobenzyl)amino]methyl}benzoic acid
CID 4719964
4-{[(2,6-Dichlorobenzyl)amino]methyl}benzoic acid hydrochloride
CID 2967793
4-[[(2,3-Dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride
CID 11948922
4-[2-[(3-Chlorobenzoyl)amino]ethyl]benzoic acid
CID 43233744

Frequently Asked Questions

What is the IUPAC name of 4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride?
The IUPAC name of 4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride (CID 11948782) is 4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride.
What is the SMILES notation for 4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride?
The canonical SMILES for 4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride is Cl.O=C(O)c1ccc(CNCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride?
The InChIKey is CQGOJRWCIQWICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2.ClH/c16-13-6-5-12(14(17)7-13)9-18-8-10-1-3-11(4-2-10)15(19)20;/h1-7,18H,8-9H2,(H,19,20);1H.
What are the key properties of 4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride?
4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride has a molecular weight of 346.64 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2,4-dichlorophenyl)methylamino]methyl]benzoic acid;hydrochloride is sourced from PubChem (CID 11948782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).