methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate

C15H12BrClFNO2 — CID 43678754

IUPACmethyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1NCc1cc(Br)ccc1F
InChIInChI=1S/C15H12BrClFNO2/c1-21-15(20)12-7-11(17)3-5-14(12)19-8-9-6-10(16)2-4-13(9)18/h2-7,19H,8H2,1H3
InChIKeyRIVDRAXCTISAMX-UHFFFAOYSA-N
MW372.62 g/mol
LogP4.64
Rot. Bonds4

About methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate

methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate (PubChem CID 43678754) has the molecular formula C15H12BrClFNO2 and a molecular weight of 372.62 g/mol. Its IUPAC name is methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate
PubChem CID43678754
Molecular FormulaC15H12BrClFNO2
Molecular Weight372.62 g/mol
Exact Mass370.97
IUPAC Namemethyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate
SMILESCOC(=O)c1cc(Cl)ccc1NCc1cc(Br)ccc1F
InChIInChI=1S/C15H12BrClFNO2/c1-21-15(20)12-7-11(17)3-5-14(12)19-8-9-6-10(16)2-4-13(9)18/h2-7,19H,8H2,1H3
InChIKeyRIVDRAXCTISAMX-UHFFFAOYSA-N
XLogP4.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841534
methyl 4-chloro-2-[(5-chloro-2-fluorophenyl)methylamino]benzoate
CID 114841641
methyl 5-chloro-2-[(2,3-difluorophenyl)methylamino]benzoate
CID 63668566
methyl 2-[(5-bromothiophen-2-yl)methylamino]-5-chlorobenzoate
CID 43678811
methyl 2-[[(5-bromo-2-fluorophenyl)methylamino]methyl]benzoate
CID 61299463
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluoro-2-methoxyaniline
CID 60960603
methyl 2-[(2,4-dichlorophenyl)methylamino]-5-methylbenzoate
CID 43679189
methyl 2-[(4-bromo-2-chloroanilino)methyl]benzoate
CID 43774895
methyl 5-chloro-2-(1,3-thiazol-2-ylmethylamino)benzoate
CID 63657617
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
methyl 5-[(5-bromo-2-hydroxyphenyl)methylamino]-2-fluorobenzoate
CID 107737733
methyl 5-bromo-2-[(4-chloro-2-fluorophenyl)sulfamoyl]benzoate
CID 51557872

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate?
The IUPAC name of methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate (CID 43678754) is methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate.
What is the SMILES notation for methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate?
The canonical SMILES for methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate is COC(=O)c1cc(Cl)ccc1NCc1cc(Br)ccc1F.
What is the InChIKey of methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate?
The InChIKey is RIVDRAXCTISAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO2/c1-21-15(20)12-7-11(17)3-5-14(12)19-8-9-6-10(16)2-4-13(9)18/h2-7,19H,8H2,1H3.
What are the key properties of methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate?
methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate has a molecular weight of 372.62 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromo-2-fluorophenyl)methylamino]-5-chlorobenzoate is sourced from PubChem (CID 43678754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).