2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid

C16H16FNO2 — CID 103236050

IUPAC2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid
SMILESCc1cc(F)ccc1NCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H16FNO2/c1-11-8-14(17)6-7-15(11)18-10-13-4-2-12(3-5-13)9-16(19)20/h2-8,18H,9-10H2,1H3,(H,19,20)
InChIKeyXNNJHIWLWQTVOE-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.37
Rot. Bonds5

About 2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid

2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid (PubChem CID 103236050) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid
PubChem CID103236050
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid
SMILESCc1cc(F)ccc1NCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C16H16FNO2/c1-11-8-14(17)6-7-15(11)18-10-13-4-2-12(3-5-13)9-16(19)20/h2-8,18H,9-10H2,1H3,(H,19,20)
InChIKeyXNNJHIWLWQTVOE-UHFFFAOYSA-N
XLogP3.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 29299136
4-fluoro-2-methyl-N-(pyridin-4-ylmethyl)aniline
CID 792097
5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 63673662
3-bromo-4-[(4-fluoro-2-methylanilino)methyl]benzoic acid
CID 103236049
4-[(4-carboxyphenyl)methylamino]-3-methylbenzoic acid
CID 65348016
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 145489087
2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid
CID 103247796
N-[(3-bromo-4-chlorophenyl)methyl]-4-fluoro-2-methylaniline
CID 83235362
N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 26439790
methyl 5-fluoro-2-[(4-fluorophenyl)methylamino]benzoate
CID 43735453
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid (CID 103236050) is 2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid is Cc1cc(F)ccc1NCc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid?
The InChIKey is XNNJHIWLWQTVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-11-8-14(17)6-7-15(11)18-10-13-4-2-12(3-5-13)9-16(19)20/h2-8,18H,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid?
2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid has a molecular weight of 273.31 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluoro-2-methylanilino)methyl]phenyl]acetic acid is sourced from PubChem (CID 103236050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).