2-[4-fluoro-N-[(2-methylphenyl)methyl]anilino]acetic acid

C16H16FNO2 — CID 39372092

IUPAC2-[4-fluoro-N-[(2-methylphenyl)methyl]anilino]acetic acid
SMILESCc1ccccc1CN(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c1-12-4-2-3-5-13(12)10-18(11-16(19)20)15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyRLNDQNZLLPXENP-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.23
Rot. Bonds5

About 2-[4-fluoro-N-[(2-methylphenyl)methyl]anilino]acetic acid

2-[4-fluoro-N-[(2-methylphenyl)methyl]anilino]acetic acid (PubChem CID 39372092) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[4-fluoro-N-[(2-methylphenyl)methyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[4-fluoro-N-[(2-methylphenyl)methyl]anilino]acetic acid
PubChem CID39372092
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name2-[4-fluoro-N-[(2-methylphenyl)methyl]anilino]acetic acid
SMILESCc1ccccc1CN(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C16H16FNO2/c1-12-4-2-3-5-13(12)10-18(11-16(19)20)15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyRLNDQNZLLPXENP-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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-N-[(2-methylphenyl)methyl]anilino]acetic acid?
The IUPAC name of 2-[4-fluoro-N-[(2-methylphenyl)methyl]anilino]acetic acid (CID 39372092) is 2-[4-fluoro-N-[(2-methylphenyl)methyl]anilino]acetic acid.
What is the SMILES notation for 2-[4-fluoro-N-[(2-methylphenyl)methyl]anilino]acetic acid?
The canonical SMILES for 2-[4-fluoro-N-[(2-methylphenyl)methyl]anilino]acetic acid is Cc1ccccc1CN(CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-[4-fluoro-N-[(2-methylphenyl)methyl]anilino]acetic acid?
The InChIKey is RLNDQNZLLPXENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c1-12-4-2-3-5-13(12)10-18(11-16(19)20)15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-[4-fluoro-N-[(2-methylphenyl)methyl]anilino]acetic acid?
2-[4-fluoro-N-[(2-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-[4-fluoro-N-[(2-methylphenyl)methyl]anilino]acetic acid is sourced from PubChem (CID 39372092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).