3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide

C23H21FN2O2 — CID 109057447

IUPAC3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)Nc2ccccc2F)c1)c1cccc(C)c1
InChIInChI=1S/C23H21FN2O2/c1-3-26(19-11-6-8-16(2)14-19)23(28)18-10-7-9-17(15-18)22(27)25-21-13-5-4-12-20(21)24/h4-15H,3H2,1-2H3,(H,25,27)
InChIKeyCVOULVDRSWZQDJ-UHFFFAOYSA-N
MW376.43 g/mol
LogP5.05
Rot. Bonds5

About 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide

3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057447) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID109057447
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)Nc2ccccc2F)c1)c1cccc(C)c1
InChIInChI=1S/C23H21FN2O2/c1-3-26(19-11-6-8-16(2)14-19)23(28)18-10-7-9-17(15-18)22(27)25-21-13-5-4-12-20(21)24/h4-15H,3H2,1-2H3,(H,25,27)
InChIKeyCVOULVDRSWZQDJ-UHFFFAOYSA-N
XLogP5.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057333
3-N-(2,4-difluorophenyl)-5-N-ethyl-5-N-(3-methylphenyl)pyridine-3,5-dicarboxamide
CID 109109045
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109055053
3-N-ethyl-1-N-(furan-2-ylmethyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054073
N-ethyl-2-(2-fluoroanilino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109336772
N-ethyl-2-[(2-fluorophenyl)methylamino]-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109170542
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449
4-N-(2,5-dimethylphenyl)-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091824
3-N-ethyl-3-N-(3-methylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053113
3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109051535
3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
CID 60737545
N-ethyl-N-(3-methylphenyl)-4-sulfanylbenzamide
CID 107023760

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide (CID 109057447) is 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide is CCN(C(=O)c1cccc(C(=O)Nc2ccccc2F)c1)c1cccc(C)c1.
What is the InChIKey of 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is CVOULVDRSWZQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-3-26(19-11-6-8-16(2)14-19)23(28)18-10-7-9-17(15-18)22(27)25-21-13-5-4-12-20(21)24/h4-15H,3H2,1-2H3,(H,25,27).
What are the key properties of 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide?
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 376.43 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).