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

C21H19FN2O2 — CID 171824065

IUPAC(4-fluorophenyl)methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate
SMILESCc1ccc(Cc2ccc(NC(=O)OCc3ccc(F)cc3)cc2)cn1
InChIInChI=1S/C21H19FN2O2/c1-15-2-3-18(13-23-15)12-16-6-10-20(11-7-16)24-21(25)26-14-17-4-8-19(22)9-5-17/h2-11,13H,12,14H2,1H3,(H,24,25)
InChIKeyIXVAHGGKJBMMJP-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.87
Rot. Bonds5

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

(4-fluorophenyl)methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate (PubChem CID 171824065) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate
PubChem CID171824065
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name(4-fluorophenyl)methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate
SMILESCc1ccc(Cc2ccc(NC(=O)OCc3ccc(F)cc3)cc2)cn1
InChIInChI=1S/C21H19FN2O2/c1-15-2-3-18(13-23-15)12-16-6-10-20(11-7-16)24-21(25)26-14-17-4-8-19(22)9-5-17/h2-11,13H,12,14H2,1H3,(H,24,25)
InChIKeyIXVAHGGKJBMMJP-UHFFFAOYSA-N
XLogP4.87
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 ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-fluorophenyl)methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate?
The IUPAC name of (4-fluorophenyl)methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate (CID 171824065) is (4-fluorophenyl)methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate is Cc1ccc(Cc2ccc(NC(=O)OCc3ccc(F)cc3)cc2)cn1.
What is the InChIKey of (4-fluorophenyl)methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate?
The InChIKey is IXVAHGGKJBMMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-15-2-3-18(13-23-15)12-16-6-10-20(11-7-16)24-21(25)26-14-17-4-8-19(22)9-5-17/h2-11,13H,12,14H2,1H3,(H,24,25).
What are the key properties of (4-fluorophenyl)methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate?
(4-fluorophenyl)methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate has a molecular weight of 350.39 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-[4-[(6-methyl-3-pyridinyl)methyl]phenyl]carbamate is sourced from PubChem (CID 171824065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).