3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid

C15H14FNO3 — CID 62650638

IUPAC3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid
SMILESCOc1ccc(CNc2c(F)cccc2C(=O)O)cc1
InChIInChI=1S/C15H14FNO3/c1-20-11-7-5-10(6-8-11)9-17-14-12(15(18)19)3-2-4-13(14)16/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyCMDYIVMWVLZPOV-UHFFFAOYSA-N
MW275.28 g/mol
LogP3.14
Rot. Bonds5

About 3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid

3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid (PubChem CID 62650638) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid
PubChem CID62650638
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid
SMILESCOc1ccc(CNc2c(F)cccc2C(=O)O)cc1
InChIInChI=1S/C15H14FNO3/c1-20-11-7-5-10(6-8-11)9-17-14-12(15(18)19)3-2-4-13(14)16/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyCMDYIVMWVLZPOV-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-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62648664
3-fluoro-2-[(2-methoxyphenyl)methylamino]benzoic acid
CID 62648491
2-[(3-chloro-4-fluorophenyl)methylamino]-3-fluorobenzoic acid
CID 62649558
2-(1,3-benzodioxol-5-ylmethylamino)-3-fluorobenzoic acid
CID 62905244
2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid
CID 62648655
3-fluoro-2-(2-methylpropylamino)benzoic acid
CID 62649634
2-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 81304297
3-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzoic acid
CID 106400559
3-fluoro-2-(2-phenylethylamino)benzoic acid
CID 62650969
3-fluoro-2-[(3-hydroxy-4-methoxybutyl)amino]benzoic acid
CID 114163756
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
2-[(4-ethylphenyl)methylamino]-3-methylbenzoic acid
CID 107112483

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid?
The IUPAC name of 3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid (CID 62650638) is 3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid.
What is the SMILES notation for 3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid?
The canonical SMILES for 3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid is COc1ccc(CNc2c(F)cccc2C(=O)O)cc1.
What is the InChIKey of 3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid?
The InChIKey is CMDYIVMWVLZPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-20-11-7-5-10(6-8-11)9-17-14-12(15(18)19)3-2-4-13(14)16/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 3-fluoro-2-[(4-methoxyphenyl)methylamino]benzoic acid?
3-fluoro-2-[(4-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-[(4-methoxyphenyl)methylamino]benzoic acid is sourced from PubChem (CID 62650638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).