5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid

C15H14FNO2 — CID 63673662

IUPAC5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
SMILESCc1ccc(CNc2ccc(F)cc2C(=O)O)cc1
InChIInChI=1S/C15H14FNO2/c1-10-2-4-11(5-3-10)9-17-14-7-6-12(16)8-13(14)15(18)19/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyDTDWMHWZHPQADD-UHFFFAOYSA-N
MW259.28 g/mol
LogP3.44
Rot. Bonds4

About 5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid

5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid (PubChem CID 63673662) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is 5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
PubChem CID63673662
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
SMILESCc1ccc(CNc2ccc(F)cc2C(=O)O)cc1
InChIInChI=1S/C15H14FNO2/c1-10-2-4-11(5-3-10)9-17-14-7-6-12(16)8-13(14)15(18)19/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyDTDWMHWZHPQADD-UHFFFAOYSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[(4-methylphenyl)methylamino]benzoic acid
CID 62514277
methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate
CID 43735453
2-[2-(4-fluorophenyl)ethylamino]-5-methylbenzoic acid
CID 63528850
2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid
CID 63675024
5-fluoro-2-(prop-2-ynylamino)benzoic acid
CID 63674509
2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid
CID 103236050
2-fluoro-6-[(4-methylphenyl)methylamino]benzoic acid
CID 79522270
3-[(4-fluorophenyl)methylamino]-2-methylbenzoic acid
CID 17058960
5-fluoro-2-(3-methylbut-2-enylamino)benzoic acid
CID 106197911
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321
5-fluoro-2-(prop-2-enylamino)benzoic acid
CID 63674508
4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81233465

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid?
The IUPAC name of 5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid (CID 63673662) is 5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid is Cc1ccc(CNc2ccc(F)cc2C(=O)O)cc1.
What is the InChIKey of 5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid?
The InChIKey is DTDWMHWZHPQADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2/c1-10-2-4-11(5-3-10)9-17-14-7-6-12(16)8-13(14)15(18)19/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid?
5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid has a molecular weight of 259.28 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid is sourced from PubChem (CID 63673662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).