4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide

C19H19FN2O2 — CID 109043298

IUPAC4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H19FN2O2/c20-17-4-2-1-3-13(17)11-12-21-18(23)14-5-7-15(8-6-14)19(24)22-16-9-10-16/h1-8,16H,9-12H2,(H,21,23)(H,22,24)
InChIKeyUYGNVBJMKDHZFL-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.69
Rot. Bonds6

About 4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide

4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide (PubChem CID 109043298) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
PubChem CID109043298
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
SMILESO=C(NCCc1ccccc1F)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H19FN2O2/c20-17-4-2-1-3-13(17)11-12-21-18(23)14-5-7-15(8-6-14)19(24)22-16-9-10-16/h1-8,16H,9-12H2,(H,21,23)(H,22,24)
InChIKeyUYGNVBJMKDHZFL-UHFFFAOYSA-N
XLogP2.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 8636623
4-N-(1,1-dioxothiolan-3-yl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047168
3-bromo-N-[2-(2-fluorophenyl)ethyl]-4-methylbenzamide
CID 81472463
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
3-N-cyclopentyl-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051825
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
6-fluoro-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 63973138
4-bromo-N-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 8643346
N-[2-(2-fluorophenyl)ethyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9100118
3-(cyclohexylcarbamoylamino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 18152351
N-cyclopropyl-3-[[4-(2-fluorophenyl)butanoylamino]methyl]benzamide
CID 91518477
[3-(cyclopropylcarbamoyl)phenyl] 3-(2-fluorophenyl)propanoate
CID 86812608

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide (CID 109043298) is 4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide is O=C(NCCc1ccccc1F)c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide?
The InChIKey is UYGNVBJMKDHZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-17-4-2-1-3-13(17)11-12-21-18(23)14-5-7-15(8-6-14)19(24)22-16-9-10-16/h1-8,16H,9-12H2,(H,21,23)(H,22,24).
What are the key properties of 4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide?
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide has a molecular weight of 326.37 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).