3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide

C22H19FN2O2 — CID 109057333

IUPAC3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)Nc2ccccc2F)c1)c1ccccc1
InChIInChI=1S/C22H19FN2O2/c1-2-25(18-11-4-3-5-12-18)22(27)17-10-8-9-16(15-17)21(26)24-20-14-7-6-13-19(20)23/h3-15H,2H2,1H3,(H,24,26)
InChIKeyGBNXZTJEWQUMOF-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.74
Rot. Bonds5

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

3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide (PubChem CID 109057333) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide
PubChem CID109057333
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide
SMILESCCN(C(=O)c1cccc(C(=O)Nc2ccccc2F)c1)c1ccccc1
InChIInChI=1S/C22H19FN2O2/c1-2-25(18-11-4-3-5-12-18)22(27)17-10-8-9-16(15-17)21(26)24-20-14-7-6-13-19(20)23/h3-15H,2H2,1H3,(H,24,26)
InChIKeyGBNXZTJEWQUMOF-UHFFFAOYSA-N
XLogP4.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-ethyl-1-N-(2-fluorophenyl)-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109057447
methyl 3-[[2-[ethyl(phenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 17186778
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449
3-acetamido-N-ethyl-N-phenylbenzamide
CID 17221925
3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109051535
3-N-ethyl-1-N-[(4-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054394
3-N-ethyl-1-N-[(2-methylphenyl)methyl]-3-N-phenylbenzene-1,3-dicarboxamide
CID 109054244
N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17221980
N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109267578
1-N-cyclohexyl-3-N-ethyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109052208
1-N-(2,6-difluorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057077
5-N-ethyl-3-N-(3-fluorophenyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109108560

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide (CID 109057333) is 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide is CCN(C(=O)c1cccc(C(=O)Nc2ccccc2F)c1)c1ccccc1.
What is the InChIKey of 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide?
The InChIKey is GBNXZTJEWQUMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-2-25(18-11-4-3-5-12-18)22(27)17-10-8-9-16(15-17)21(26)24-20-14-7-6-13-19(20)23/h3-15H,2H2,1H3,(H,24,26).
What are the key properties of 3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide?
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide has a molecular weight of 362.40 g/mol, XLogP of 4.74, 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-phenylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109057333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).