methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate

C15H12Cl2FNO2 — CID 43735444

IUPACmethyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2FNO2/c1-21-15(20)11-7-10(18)5-6-13(11)19-8-9-3-2-4-12(16)14(9)17/h2-7,19H,8H2,1H3
InChIKeyVVFVBRNVLHSVLM-UHFFFAOYSA-N
MW328.17 g/mol
LogP4.53
Rot. Bonds4

About methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate

methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate (PubChem CID 43735444) has the molecular formula C15H12Cl2FNO2 and a molecular weight of 328.17 g/mol. Its IUPAC name is methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate
PubChem CID43735444
Molecular FormulaC15H12Cl2FNO2
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Namemethyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1NCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl2FNO2/c1-21-15(20)11-7-10(18)5-6-13(11)19-8-9-3-2-4-12(16)14(9)17/h2-7,19H,8H2,1H3
InChIKeyVVFVBRNVLHSVLM-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate 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 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate
CID 43735543
methyl 5-chloro-2-[(2,3-difluorophenyl)methylamino]benzoate
CID 63668566
methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate
CID 43735453
methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate
CID 60780928
methyl 2-[(2-chlorophenyl)methylamino]benzoate
CID 43087858
methyl 2-(2,3-dichlorophenyl)-4-fluorobenzoate
CID 134617679
methyl 5-fluoro-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]benzoate
CID 64580738
methyl 4-fluoro-2-[(2-methoxyphenyl)methylamino]benzoate
CID 43735149
methyl 2-acetamido-5-fluorobenzoate
CID 60786102
methyl 2-[(2,3-dichlorophenyl)methoxycarbonylamino]-4,5-difluorobenzoate
CID 169223403
methyl 2-[(4-fluoro-2-iodophenyl)methylamino]benzoate
CID 71747269
methyl 2-[(2-bromo-5-fluorophenyl)methylamino]benzoate
CID 71747092

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate?
The IUPAC name of methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate (CID 43735444) is methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate.
What is the SMILES notation for methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate?
The canonical SMILES for methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate is COC(=O)c1cc(F)ccc1NCc1cccc(Cl)c1Cl.
What is the InChIKey of methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate?
The InChIKey is VVFVBRNVLHSVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FNO2/c1-21-15(20)11-7-10(18)5-6-13(11)19-8-9-3-2-4-12(16)14(9)17/h2-7,19H,8H2,1H3.
What are the key properties of methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate?
methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate has a molecular weight of 328.17 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate is sourced from PubChem (CID 43735444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).