2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate

C18H20FNO2 — CID 6736712

IUPAC2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate
SMILESCc1cccc(CCOC(=O)NCCc2cccc(F)c2)c1
InChIInChI=1S/C18H20FNO2/c1-14-4-2-5-16(12-14)9-11-22-18(21)20-10-8-15-6-3-7-17(19)13-15/h2-7,12-13H,8-11H2,1H3,(H,20,21)
InChIKeyWPQGUOYFSSSZQT-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.65
Rot. Bonds6

About 2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate

2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate (PubChem CID 6736712) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate.

Molecular Properties

Compound Name2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate
PubChem CID6736712
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate
SMILESCc1cccc(CCOC(=O)NCCc2cccc(F)c2)c1
InChIInChI=1S/C18H20FNO2/c1-14-4-2-5-16(12-14)9-11-22-18(21)20-10-8-15-6-3-7-17(19)13-15/h2-7,12-13H,8-11H2,1H3,(H,20,21)
InChIKeyWPQGUOYFSSSZQT-UHFFFAOYSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate?
The IUPAC name of 2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate (CID 6736712) is 2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate.
What is the SMILES notation for 2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate?
The canonical SMILES for 2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate is Cc1cccc(CCOC(=O)NCCc2cccc(F)c2)c1.
What is the InChIKey of 2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate?
The InChIKey is WPQGUOYFSSSZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-14-4-2-5-16(12-14)9-11-22-18(21)20-10-8-15-6-3-7-17(19)13-15/h2-7,12-13H,8-11H2,1H3,(H,20,21).
What are the key properties of 2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate?
2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate has a molecular weight of 301.36 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)ethyl N-[2-(3-fluorophenyl)ethyl]carbamate is sourced from PubChem (CID 6736712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).