1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide

C19H17F3N2O3 — CID 109045697

IUPAC1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
SMILESO=C(NCC1CCCO1)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C19H17F3N2O3/c20-14-7-8-15(17(22)16(14)21)24-19(26)12-5-3-11(4-6-12)18(25)23-10-13-2-1-9-27-13/h3-8,13H,1-2,9-10H2,(H,23,25)(H,24,26)
InChIKeyHMSCOVNBUNUYHP-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.27
Rot. Bonds5

About 1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide

1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 109045697) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
PubChem CID109045697
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
SMILESO=C(NCC1CCCO1)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C19H17F3N2O3/c20-14-7-8-15(17(22)16(14)21)24-19(26)12-5-3-11(4-6-12)18(25)23-10-13-2-1-9-27-13/h3-8,13H,1-2,9-10H2,(H,23,25)(H,24,26)
InChIKeyHMSCOVNBUNUYHP-UHFFFAOYSA-N
XLogP3.27
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide 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

4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 8550006
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
1-N-(oxolan-2-ylmethyl)-4-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109045666
2-[(4-fluorobenzoyl)amino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7378690
2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 110913513
trifluoro-[4-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]boranuide
CID 99738286
N-(oxolan-2-ylmethyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109344046
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
N-[2-fluoro-4-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 95775799
N-[[(2R)-oxolan-2-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 40973251
4-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 2969540

Frequently Asked Questions

What is the IUPAC name of 1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide (CID 109045697) is 1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide is O=C(NCC1CCCO1)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is HMSCOVNBUNUYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c20-14-7-8-15(17(22)16(14)21)24-19(26)12-5-3-11(4-6-12)18(25)23-10-13-2-1-9-27-13/h3-8,13H,1-2,9-10H2,(H,23,25)(H,24,26).
What are the key properties of 1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide?
1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).