methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate

C15H12ClF2NO2 — CID 43735543

IUPACmethyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1NCc1c(F)cccc1Cl
InChIInChI=1S/C15H12ClF2NO2/c1-21-15(20)10-7-9(17)5-6-14(10)19-8-11-12(16)3-2-4-13(11)18/h2-7,19H,8H2,1H3
InChIKeyMWGKFLCFWFMYCS-UHFFFAOYSA-N
MW311.72 g/mol
LogP4.02
Rot. Bonds4

About methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate

methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate (PubChem CID 43735543) has the molecular formula C15H12ClF2NO2 and a molecular weight of 311.72 g/mol. Its IUPAC name is methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate
PubChem CID43735543
Molecular FormulaC15H12ClF2NO2
Molecular Weight311.72 g/mol
Exact Mass311.05
IUPAC Namemethyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1NCc1c(F)cccc1Cl
InChIInChI=1S/C15H12ClF2NO2/c1-21-15(20)10-7-9(17)5-6-14(10)19-8-11-12(16)3-2-4-13(11)18/h2-7,19H,8H2,1H3
InChIKeyMWGKFLCFWFMYCS-UHFFFAOYSA-N
XLogP4.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.72
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2,3-dichlorophenyl)methylamino]-5-fluorobenzoate
CID 43735444
methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate
CID 43735453
methyl 4-[(2-chloro-6-fluorophenyl)methylamino]benzoate
CID 43087990
methyl 2-[(5-chlorofuran-2-yl)methylamino]-5-fluorobenzoate
CID 60780928
methyl 5-chloro-2-[(2,3-difluorophenyl)methylamino]benzoate
CID 63668566
N-[(2-chloro-6-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 104815678
N-[(2,6-dichlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 29043434
methyl 5-fluoro-2-[[5-(hydroxymethyl)furan-2-yl]methylamino]benzoate
CID 64580738
2-O-[(2-chloro-6-fluorophenyl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504991
N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
CID 43690236
N-[(2-chloro-6-methoxyphenyl)methyl]-4-fluoro-2-methylaniline
CID 104815682
3-chloro-2-[(2-chloro-4-fluoroanilino)methyl]phenol
CID 114317924

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate?
The IUPAC name of methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate (CID 43735543) is methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate.
What is the SMILES notation for methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate?
The canonical SMILES for methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate is COC(=O)c1cc(F)ccc1NCc1c(F)cccc1Cl.
What is the InChIKey of methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate?
The InChIKey is MWGKFLCFWFMYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO2/c1-21-15(20)10-7-9(17)5-6-14(10)19-8-11-12(16)3-2-4-13(11)18/h2-7,19H,8H2,1H3.
What are the key properties of methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate?
methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate has a molecular weight of 311.72 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-6-fluorophenyl)methylamino]-5-fluorobenzoate is sourced from PubChem (CID 43735543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).