3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid

C15H14FNO3 — CID 62648491

IUPAC3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid
SMILESCOc1ccccc1CNc1c(F)cccc1C(=O)O
InChIInChI=1S/C15H14FNO3/c1-20-13-8-3-2-5-10(13)9-17-14-11(15(18)19)6-4-7-12(14)16/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyBXSXLBSLGZBAAD-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.14
Rot. Bonds5

About 3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid

3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid (PubChem CID 62648491) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid
PubChem CID62648491
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid
SMILESCOc1ccccc1CNc1c(F)cccc1C(=O)O
InChIInChI=1S/C15H14FNO3/c1-20-13-8-3-2-5-10(13)9-17-14-11(15(18)19)6-4-7-12(14)16/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyBXSXLBSLGZBAAD-UHFFFAOYSA-N
XLogP3.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-[(2-methoxyphenyl)methylamino]benzoic acid
CID 63183498
2,4-difluoro-5-[(2-methoxyphenyl)methylamino]benzoic acid
CID 43737081
3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid
CID 62650638
3-fluoro-N-[(2-methoxyphenyl)methyl]-2-(methylamino)benzamide
CID 62648542
2,6-difluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104791540
N-(2,6-difluorophenyl)-6-[(2-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120054
3-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62648664
3-fluoro-2-(2-phenylethylamino)benzoic acid
CID 62650969
3-methyl-2-[(2-methylphenyl)methylamino]benzoic acid
CID 107111894
3-[[2-[(2-fluorophenyl)methoxy]phenyl]methylamino]-2-methylbenzoic acid
CID 17059181
N-[(2-ethoxyphenyl)methyl]-2,6-difluoroaniline
CID 28879073
3-fluoro-2-(2-methylpropylamino)benzoic acid
CID 62649634

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid?
The IUPAC name of 3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid (CID 62648491) is 3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid.
What is the SMILES notation for 3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid?
The canonical SMILES for 3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid is COc1ccccc1CNc1c(F)cccc1C(=O)O.
What is the InChIKey of 3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid?
The InChIKey is BXSXLBSLGZBAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-20-13-8-3-2-5-10(13)9-17-14-11(15(18)19)6-4-7-12(14)16/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid?
3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid has a molecular weight of 275.28 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid is sourced from PubChem (CID 62648491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).