(3-fluoro-2-methylphenyl)-phenylcarbamic acid

C14H12FNO2 — CID 67275615

IUPAC(3-fluoro-2-methylphenyl)-phenylcarbamic acid
SMILESCc1c(F)cccc1N(C(=O)O)c1ccccc1
InChIInChI=1S/C14H12FNO2/c1-10-12(15)8-5-9-13(10)16(14(17)18)11-6-3-2-4-7-11/h2-9H,1H3,(H,17,18)
InChIKeyGTPFBTJIWKRSFD-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.95
Rot. Bonds2

About (3-fluoro-2-methylphenyl)-phenylcarbamic acid

(3-fluoro-2-methylphenyl)-phenylcarbamic acid (PubChem CID 67275615) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is (3-fluoro-2-methylphenyl)-phenylcarbamic acid.

Molecular Properties

Compound Name(3-fluoro-2-methylphenyl)-phenylcarbamic acid
PubChem CID67275615
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name(3-fluoro-2-methylphenyl)-phenylcarbamic acid
SMILESCc1c(F)cccc1N(C(=O)O)c1ccccc1
InChIInChI=1S/C14H12FNO2/c1-10-12(15)8-5-9-13(10)16(14(17)18)11-6-3-2-4-7-11/h2-9H,1H3,(H,17,18)
InChIKeyGTPFBTJIWKRSFD-UHFFFAOYSA-N
XLogP3.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-methylphenyl)-phenylcarbamic acid?
The IUPAC name of (3-fluoro-2-methylphenyl)-phenylcarbamic acid (CID 67275615) is (3-fluoro-2-methylphenyl)-phenylcarbamic acid.
What is the SMILES notation for (3-fluoro-2-methylphenyl)-phenylcarbamic acid?
The canonical SMILES for (3-fluoro-2-methylphenyl)-phenylcarbamic acid is Cc1c(F)cccc1N(C(=O)O)c1ccccc1.
What is the InChIKey of (3-fluoro-2-methylphenyl)-phenylcarbamic acid?
The InChIKey is GTPFBTJIWKRSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-10-12(15)8-5-9-13(10)16(14(17)18)11-6-3-2-4-7-11/h2-9H,1H3,(H,17,18).
What are the key properties of (3-fluoro-2-methylphenyl)-phenylcarbamic acid?
(3-fluoro-2-methylphenyl)-phenylcarbamic acid has a molecular weight of 245.25 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-methylphenyl)-phenylcarbamic acid is sourced from PubChem (CID 67275615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).