methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate

C16H15Cl2NO2 — CID 43679189

IUPACmethyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-10-3-6-15(13(7-10)16(20)21-2)19-9-11-4-5-12(17)8-14(11)18/h3-8,19H,9H2,1-2H3
InChIKeyMJKRMCBRJLQNMC-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.70
Rot. Bonds4

About methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate

methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate (PubChem CID 43679189) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate
PubChem CID43679189
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Namemethyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate
SMILESCOC(=O)c1cc(C)ccc1NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-10-3-6-15(13(7-10)16(20)21-2)19-9-11-4-5-12(17)8-14(11)18/h3-8,19H,9H2,1-2H3
InChIKeyMJKRMCBRJLQNMC-UHFFFAOYSA-N
XLogP4.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-2-[(2,4-dichlorophenyl)methylamino]benzoate
CID 43230186
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-4-methylaniline
CID 63451269
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylaniline
CID 13339997
methyl 5-[(2,4-dichlorophenyl)methylamino]-2-fluorobenzoate
CID 43715392
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
methyl 2-[(5-chlorothiophen-2-yl)methylamino]-5-methylbenzoate
CID 43679139
methyl 5-chloro-2-[(2,3-difluorophenyl)methylamino]benzoate
CID 63668566
methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate
CID 43678754
2,4-dichloro-N-[(2,4-dichlorophenyl)methyl]aniline
CID 13339999
methyl 2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841534
methyl 4-chloro-2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841641
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethylaniline
CID 114075335

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate?
The IUPAC name of methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate (CID 43679189) is methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate.
What is the SMILES notation for methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate?
The canonical SMILES for methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate is COC(=O)c1cc(C)ccc1NCc1ccc(Cl)cc1Cl.
What is the InChIKey of methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate?
The InChIKey is MJKRMCBRJLQNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-10-3-6-15(13(7-10)16(20)21-2)19-9-11-4-5-12(17)8-14(11)18/h3-8,19H,9H2,1-2H3.
What are the key properties of methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate?
methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate has a molecular weight of 324.21 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate is sourced from PubChem (CID 43679189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).