[2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate

C19H18F2N2O4 — CID 6735769

IUPAC[2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)OCc1ccccc1OC(F)F
InChIInChI=1S/C19H18F2N2O4/c20-18(21)27-17-4-2-1-3-13(17)11-26-19(25)22-8-7-12-10-23-16-6-5-14(24)9-15(12)16/h1-6,9-10,18,23-24H,7-8,11H2,(H,22,25)
InChIKeyZTTKZQYQZFYEHV-UHFFFAOYSA-N
MW376.36 g/mol
LogP3.94
Rot. Bonds7

About [2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate

[2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate (PubChem CID 6735769) has the molecular formula C19H18F2N2O4 and a molecular weight of 376.36 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
PubChem CID6735769
Molecular FormulaC19H18F2N2O4
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Name[2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)OCc1ccccc1OC(F)F
InChIInChI=1S/C19H18F2N2O4/c20-18(21)27-17-4-2-1-3-13(17)11-26-19(25)22-8-7-12-10-23-16-6-5-14(24)9-15(12)16/h1-6,9-10,18,23-24H,7-8,11H2,(H,22,25)
InChIKeyZTTKZQYQZFYEHV-UHFFFAOYSA-N
XLogP3.94
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]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 [2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of [2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate (CID 6735769) is [2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for [2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate is O=C(NCCc1c[nH]c2ccc(O)cc12)OCc1ccccc1OC(F)F.
What is the InChIKey of [2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is ZTTKZQYQZFYEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N2O4/c20-18(21)27-17-4-2-1-3-13(17)11-26-19(25)22-8-7-12-10-23-16-6-5-14(24)9-15(12)16/h1-6,9-10,18,23-24H,7-8,11H2,(H,22,25).
What are the key properties of [2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
[2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 376.36 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 6735769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).