[2-(3-fluorophenyl)-4-methylphenyl]carbamic acid

C14H12FNO2 — CID 69316354

IUPAC[2-(3-fluorophenyl)-4-methylphenyl]carbamic acid
SMILESCc1ccc(NC(=O)O)c(-c2cccc(F)c2)c1
InChIInChI=1S/C14H12FNO2/c1-9-5-6-13(16-14(17)18)12(7-9)10-3-2-4-11(15)8-10/h2-8,16H,1H3,(H,17,18)
InChIKeyUOYGKINIRPSGNV-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.89
Rot. Bonds2

About [2-(3-fluorophenyl)-4-methylphenyl]carbamic acid

[2-(3-fluorophenyl)-4-methylphenyl]carbamic acid (PubChem CID 69316354) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-4-methylphenyl]carbamic acid.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-4-methylphenyl]carbamic acid
PubChem CID69316354
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name[2-(3-fluorophenyl)-4-methylphenyl]carbamic acid
SMILESCc1ccc(NC(=O)O)c(-c2cccc(F)c2)c1
InChIInChI=1S/C14H12FNO2/c1-9-5-6-13(16-14(17)18)12(7-9)10-3-2-4-11(15)8-10/h2-8,16H,1H3,(H,17,18)
InChIKeyUOYGKINIRPSGNV-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-4-methylphenyl]carbamic acid?
The IUPAC name of [2-(3-fluorophenyl)-4-methylphenyl]carbamic acid (CID 69316354) is [2-(3-fluorophenyl)-4-methylphenyl]carbamic acid.
What is the SMILES notation for [2-(3-fluorophenyl)-4-methylphenyl]carbamic acid?
The canonical SMILES for [2-(3-fluorophenyl)-4-methylphenyl]carbamic acid is Cc1ccc(NC(=O)O)c(-c2cccc(F)c2)c1.
What is the InChIKey of [2-(3-fluorophenyl)-4-methylphenyl]carbamic acid?
The InChIKey is UOYGKINIRPSGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9-5-6-13(16-14(17)18)12(7-9)10-3-2-4-11(15)8-10/h2-8,16H,1H3,(H,17,18).
What are the key properties of [2-(3-fluorophenyl)-4-methylphenyl]carbamic acid?
[2-(3-fluorophenyl)-4-methylphenyl]carbamic acid has a molecular weight of 245.25 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-4-methylphenyl]carbamic acid is sourced from PubChem (CID 69316354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).