N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide

C19H19F3N2O2 — CID 70845448

IUPACN-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCc1ccc(Nc2ccccc2C(F)(F)F)cc1)C1CCOC1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)16-3-1-2-4-17(16)24-15-7-5-13(6-8-15)11-23-18(25)14-9-10-26-12-14/h1-8,14,24H,9-12H2,(H,23,25)
InChIKeyDCJQWDXXPCCWCK-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.10
Rot. Bonds5

About N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide

N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide (PubChem CID 70845448) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
PubChem CID70845448
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC NameN-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCc1ccc(Nc2ccccc2C(F)(F)F)cc1)C1CCOC1
InChIInChI=1S/C19H19F3N2O2/c20-19(21,22)16-3-1-2-4-17(16)24-15-7-5-13(6-8-15)11-23-18(25)14-9-10-26-12-14/h1-8,14,24H,9-12H2,(H,23,25)
InChIKeyDCJQWDXXPCCWCK-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxetane-3-carboxamide
CID 59496251
(3S)-3-amino-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 66617106
(3R)-N-[[4-[(4-fluorophenyl)methylamino]phenyl]methyl]oxolane-3-carboxamide
CID 170159066
N-[(4-hydroxyphenyl)methyl]oxolane-3-carboxamide
CID 115595322
(3R)-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-3-carboxamide
CID 70845479
(3S)-3-[(3-methoxycyclobutanecarbonyl)amino]-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 46898764
N-[(2-fluorophenyl)methyl]oxolane-3-carboxamide
CID 47443507
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]oxolane-3-carboxamide
CID 71918324
[(3S)-3-[(3-oxocyclohexanecarbonyl)amino]oxolan-3-yl] N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]carbamate
CID 66616961
(3S)-3-[2-(furan-3-yl)-2-oxoethyl]-N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide
CID 158445349
N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
CID 74236468
N-[(3S)-3-[[4-[2-(trifluoromethyl)anilino]phenyl]methylcarbamoyl]oxolan-3-yl]pyridazine-4-carboxamide
CID 59496472

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide (CID 70845448) is N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide is O=C(NCc1ccc(Nc2ccccc2C(F)(F)F)cc1)C1CCOC1.
What is the InChIKey of N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide?
The InChIKey is DCJQWDXXPCCWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-19(21,22)16-3-1-2-4-17(16)24-15-7-5-13(6-8-15)11-23-18(25)14-9-10-26-12-14/h1-8,14,24H,9-12H2,(H,23,25).
What are the key properties of N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide?
N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(trifluoromethyl)anilino]phenyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 70845448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).