2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid

C16H16FNO2 — CID 39372088

IUPAC2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid
SMILESCc1cccc(CN(CC(=O)O)c2ccccc2F)c1
InChIInChI=1S/C16H16FNO2/c1-12-5-4-6-13(9-12)10-18(11-16(19)20)15-8-3-2-7-14(15)17/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyYELHQJMHHCFKDP-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.23
Rot. Bonds5

About 2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid

2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid (PubChem CID 39372088) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid
PubChem CID39372088
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid
SMILESCc1cccc(CN(CC(=O)O)c2ccccc2F)c1
InChIInChI=1S/C16H16FNO2/c1-12-5-4-6-13(9-12)10-18(11-16(19)20)15-8-3-2-7-14(15)17/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyYELHQJMHHCFKDP-UHFFFAOYSA-N
XLogP3.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]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

2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39368218
2-[(3-methylphenyl)methyl-propan-2-ylamino]acetic acid
CID 39244683
2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid
CID 39364504
1-[2-fluoro-6-[methyl-[(3-methylphenyl)methyl]amino]phenyl]ethanone
CID 60967598
3-[(N-ethyl-2-fluoroanilino)methyl]phenol
CID 82981692
2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid
CID 114930488
2-[(3-fluoro-4-pyridinyl)methyl-[(3-methylphenyl)methyl]amino]acetic acid
CID 166268278
2-[3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]anilino]acetic acid
CID 65058188
3-fluoro-N-methyl-N-[(3-methylphenyl)methyl]-2-nitroaniline
CID 61397771
2-[4-chloro-N-[(3-fluorophenyl)methyl]anilino]acetic acid
CID 60834960
2-(N-acetyl-2-fluoroanilino)acetic acid
CID 28765395
(2R)-2-[[2-[N-(benzenesulfonyl)-2-fluoroanilino]acetyl]-[(3-methylphenyl)methyl]amino]-N-methyl-3-phenylpropanamide
CID 100675435

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid?
The IUPAC name of 2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid (CID 39372088) is 2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid is Cc1cccc(CN(CC(=O)O)c2ccccc2F)c1.
What is the InChIKey of 2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid?
The InChIKey is YELHQJMHHCFKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-12-5-4-6-13(9-12)10-18(11-16(19)20)15-8-3-2-7-14(15)17/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid?
2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid has a molecular weight of 273.31 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-N-[(3-methylphenyl)methyl]anilino]acetic acid is sourced from PubChem (CID 39372088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).