methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate

C15H12Cl3NO2 — CID 43230186

IUPACmethyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3NO2/c1-21-15(20)12-5-4-11(17)7-14(12)19-8-9-2-3-10(16)6-13(9)18/h2-7,19H,8H2,1H3
InChIKeyGRPVDIPXVDSBEM-UHFFFAOYSA-N
MW344.63 g/mol
LogP5.05
Rot. Bonds4

About methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate

methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate (PubChem CID 43230186) has the molecular formula C15H12Cl3NO2 and a molecular weight of 344.63 g/mol. Its IUPAC name is methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate
PubChem CID43230186
Molecular FormulaC15H12Cl3NO2
Molecular Weight344.63 g/mol
Exact Mass342.99
IUPAC Namemethyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate
SMILESCOC(=O)c1ccc(Cl)cc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H12Cl3NO2/c1-21-15(20)12-5-4-11(17)7-14(12)19-8-9-2-3-10(16)6-13(9)18/h2-7,19H,8H2,1H3
InChIKeyGRPVDIPXVDSBEM-UHFFFAOYSA-N
XLogP5.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate 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

methyl 4-chloro-2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841641
methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate
CID 43679189
methyl 5-[(2,4-dichlorophenyl)methylamino]-2-fluorobenzoate
CID 43715392
dimethyl 2-[[2-(2,4-dichlorophenyl)acetyl]amino]benzene-1,4-dicarboxylate
CID 22388140
methyl 4-chloro-2-[(5-chlorofuran-2-yl)methylamino]benzoate
CID 60780204
methyl 4-chloro-2-[(5-chloro-1,3-thiazol-2-yl)methylamino]benzoate
CID 107123927
methyl 4-chloro-2-(ethylsulfonylmethylamino)benzoate
CID 57198531
methyl 2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841534
methyl 4-chloro-2-[(5-iodofuran-2-yl)methylamino]benzoate
CID 43780351
methyl 4-chloro-2-(1H-pyrazol-5-ylmethylamino)benzoate
CID 43680666
methyl 3-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43217500
methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate
CID 104821857

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate?
The IUPAC name of methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate (CID 43230186) is methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate.
What is the SMILES notation for methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate?
The canonical SMILES for methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate is COC(=O)c1ccc(Cl)cc1NCc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate?
The InChIKey is GRPVDIPXVDSBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3NO2/c1-21-15(20)12-5-4-11(17)7-14(12)19-8-9-2-3-10(16)6-13(9)18/h2-7,19H,8H2,1H3.
What are the key properties of methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate?
methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate has a molecular weight of 344.63 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate is sourced from PubChem (CID 43230186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).