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

C19H17F3N2O2 — CID 109051962

IUPAC3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C19H17F3N2O2/c20-14-8-9-15(17(22)16(14)21)24-19(26)12-5-3-4-11(10-12)18(25)23-13-6-1-2-7-13/h3-5,8-10,13H,1-2,6-7H2,(H,23,25)(H,24,26)
InChIKeyHKJQGWBDKDVGDC-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.03
Rot. Bonds4

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

3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109051962) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
PubChem CID109051962
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cccc(C(=O)NC2CCCC2)c1
InChIInChI=1S/C19H17F3N2O2/c20-14-8-9-15(17(22)16(14)21)24-19(26)12-5-3-4-11(10-12)18(25)23-13-6-1-2-7-13/h3-5,8-10,13H,1-2,6-7H2,(H,23,25)(H,24,26)
InChIKeyHKJQGWBDKDVGDC-UHFFFAOYSA-N
XLogP4.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-cyclopentyl-1-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109051946
N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide
CID 109063262
1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109056113
3-N-cyclopentyl-1-N-(2,3-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051954
3-N-cyclohexyl-1-N-(2,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109052232
1-N-cyclohexyl-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109044796
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783
5-N-cycloheptyl-3-N-(2-fluorophenyl)pyridine-3,5-dicarboxamide
CID 109107049
1-N-pentyl-3-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109056346
1-N-cyclopentyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109044538
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
1-cyclopentyl-3-(2,3,4-trifluorophenyl)thiourea
CID 116507277

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide (CID 109051962) is 3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide is O=C(Nc1ccc(F)c(F)c1F)c1cccc(C(=O)NC2CCCC2)c1.
What is the InChIKey of 3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is HKJQGWBDKDVGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-14-8-9-15(17(22)16(14)21)24-19(26)12-5-3-4-11(10-12)18(25)23-13-6-1-2-7-13/h3-5,8-10,13H,1-2,6-7H2,(H,23,25)(H,24,26).
What are the key properties of 3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide?
3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 362.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109051962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).