3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide

C24H23FN2O2 — CID 109055398

IUPAC3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCCc1ccc(NC(=O)c2cccc(C(=O)NCCc3ccccc3F)c2)cc1
InChIInChI=1S/C24H23FN2O2/c1-2-17-10-12-21(13-11-17)27-24(29)20-8-5-7-19(16-20)23(28)26-15-14-18-6-3-4-9-22(18)25/h3-13,16H,2,14-15H2,1H3,(H,26,28)(H,27,29)
InChIKeyKQSADZTUKOGPKR-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.61
Rot. Bonds7

About 3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide

3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 109055398) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
PubChem CID109055398
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCCc1ccc(NC(=O)c2cccc(C(=O)NCCc3ccccc3F)c2)cc1
InChIInChI=1S/C24H23FN2O2/c1-2-17-10-12-21(13-11-17)27-24(29)20-8-5-7-19(16-20)23(28)26-15-14-18-6-3-4-9-22(18)25/h3-13,16H,2,14-15H2,1H3,(H,26,28)(H,27,29)
InChIKeyKQSADZTUKOGPKR-UHFFFAOYSA-N
XLogP4.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-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

3-N-(4-chlorophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055404
3-N-(4-ethylphenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050379
N-(4-ethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109172552
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
N-(4-ethylphenyl)-N'-[2-(2-fluorophenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964083
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
3-N-(4-fluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055517
1-N-[2-(4-fluorophenyl)ethyl]-3-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109055448
3-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 109024693
3-(carbamoylamino)-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 9474305
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
3-N-benzyl-1-N-[2-(2-fluorophenyl)ethyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054514

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide (CID 109055398) is 3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide is CCc1ccc(NC(=O)c2cccc(C(=O)NCCc3ccccc3F)c2)cc1.
What is the InChIKey of 3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is KQSADZTUKOGPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-2-17-10-12-21(13-11-17)27-24(29)20-8-5-7-19(16-20)23(28)26-15-14-18-6-3-4-9-22(18)25/h3-13,16H,2,14-15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-ethylphenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).