(3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate

C18H20FNO2 — CID 23366832

IUPAC(3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
SMILESCc1ccc(COC(=O)NCCc2ccc(F)cc2)cc1C
InChIInChI=1S/C18H20FNO2/c1-13-3-4-16(11-14(13)2)12-22-18(21)20-10-9-15-5-7-17(19)8-6-15/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyOULGGRXLCJCSST-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.91
Rot. Bonds5

About (3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate

(3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate (PubChem CID 23366832) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is (3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name(3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
PubChem CID23366832
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name(3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate
SMILESCc1ccc(COC(=O)NCCc2ccc(F)cc2)cc1C
InChIInChI=1S/C18H20FNO2/c1-13-3-4-16(11-14(13)2)12-22-18(21)20-10-9-15-5-7-17(19)8-6-15/h3-8,11H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyOULGGRXLCJCSST-UHFFFAOYSA-N
XLogP3.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate?
The IUPAC name of (3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate (CID 23366832) is (3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for (3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate?
The canonical SMILES for (3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate is Cc1ccc(COC(=O)NCCc2ccc(F)cc2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate?
The InChIKey is OULGGRXLCJCSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-13-3-4-16(11-14(13)2)12-22-18(21)20-10-9-15-5-7-17(19)8-6-15/h3-8,11H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of (3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate?
(3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate has a molecular weight of 301.36 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)methyl N-[2-(4-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 23366832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).