[(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate

C17H15FN2O2 — CID 138983915

IUPAC[(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate
SMILESCc1cccc(N(C)C(=O)OC(F)c2ccccc2C#N)c1
InChIInChI=1S/C17H15FN2O2/c1-12-6-5-8-14(10-12)20(2)17(21)22-16(18)15-9-4-3-7-13(15)11-19/h3-10,16H,1-2H3
InChIKeyAGUCPIQUOYSPRV-UHFFFAOYSA-N
MW298.32 g/mol
LogP4.11
Rot. Bonds3

About [(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate

[(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate (PubChem CID 138983915) has the molecular formula C17H15FN2O2 and a molecular weight of 298.32 g/mol. Its IUPAC name is [(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate.

Molecular Properties

Compound Name[(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate
PubChem CID138983915
Molecular FormulaC17H15FN2O2
Molecular Weight298.32 g/mol
Exact Mass298.11
IUPAC Name[(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate
SMILESCc1cccc(N(C)C(=O)OC(F)c2ccccc2C#N)c1
InChIInChI=1S/C17H15FN2O2/c1-12-6-5-8-14(10-12)20(2)17(21)22-16(18)15-9-4-3-7-13(15)11-19/h3-10,16H,1-2H3
InChIKeyAGUCPIQUOYSPRV-UHFFFAOYSA-N
XLogP4.11
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate?
The IUPAC name of [(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate (CID 138983915) is [(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate.
What is the SMILES notation for [(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate?
The canonical SMILES for [(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate is Cc1cccc(N(C)C(=O)OC(F)c2ccccc2C#N)c1.
What is the InChIKey of [(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate?
The InChIKey is AGUCPIQUOYSPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O2/c1-12-6-5-8-14(10-12)20(2)17(21)22-16(18)15-9-4-3-7-13(15)11-19/h3-10,16H,1-2H3.
What are the key properties of [(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate?
[(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate has a molecular weight of 298.32 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-cyanophenyl)-fluoromethyl] N-methyl-N-(3-methylphenyl)carbamate is sourced from PubChem (CID 138983915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).