2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate

C21H19FN2O2 — CID 138722020

IUPAC2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate
SMILESCc1ccc(NC(=O)OCCc2ccc(-c3ccccc3F)cc2)cn1
InChIInChI=1S/C21H19FN2O2/c1-15-6-11-18(14-23-15)24-21(25)26-13-12-16-7-9-17(10-8-16)19-4-2-3-5-20(19)22/h2-11,14H,12-13H2,1H3,(H,24,25)
InChIKeyDJMSEWIEGZXELC-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.99
Rot. Bonds5

About 2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate

2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate (PubChem CID 138722020) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate
PubChem CID138722020
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate
SMILESCc1ccc(NC(=O)OCCc2ccc(-c3ccccc3F)cc2)cn1
InChIInChI=1S/C21H19FN2O2/c1-15-6-11-18(14-23-15)24-21(25)26-13-12-16-7-9-17(10-8-16)19-4-2-3-5-20(19)22/h2-11,14H,12-13H2,1H3,(H,24,25)
InChIKeyDJMSEWIEGZXELC-UHFFFAOYSA-N
XLogP4.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate?
The IUPAC name of 2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate (CID 138722020) is 2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate.
What is the SMILES notation for 2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate?
The canonical SMILES for 2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate is Cc1ccc(NC(=O)OCCc2ccc(-c3ccccc3F)cc2)cn1.
What is the InChIKey of 2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate?
The InChIKey is DJMSEWIEGZXELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-15-6-11-18(14-23-15)24-21(25)26-13-12-16-7-9-17(10-8-16)19-4-2-3-5-20(19)22/h2-11,14H,12-13H2,1H3,(H,24,25).
What are the key properties of 2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate?
2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate has a molecular weight of 350.39 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)phenyl]ethyl N-(6-methyl-3-pyridinyl)carbamate is sourced from PubChem (CID 138722020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).