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

C23H21FN2O2 — CID 109054619

IUPAC3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C23H21FN2O2/c1-2-16-8-4-6-13-21(16)26-23(28)18-11-7-10-17(14-18)22(27)25-15-19-9-3-5-12-20(19)24/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyBYZIGZSSLMFJOL-UHFFFAOYSA-N
MW376.43 g/mol
LogP4.57
Rot. Bonds6

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

3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109054619) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109054619
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C23H21FN2O2/c1-2-16-8-4-6-13-21(16)26-23(28)18-11-7-10-17(14-18)22(27)25-15-19-9-3-5-12-20(19)24/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyBYZIGZSSLMFJOL-UHFFFAOYSA-N
XLogP4.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-N-(2-ethylphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105539
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
3-N-(2,6-difluorophenyl)-1-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054270
3-N-(2-ethylphenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051337
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
5-N-(2-ethoxyphenyl)-3-N-[(2-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105558
1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109047196
ethyl N-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 9375024
3-(carbamoylamino)-N-[(2-fluorophenyl)methyl]benzamide
CID 8870626
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide (CID 109054619) is 3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide is CCc1ccccc1NC(=O)c1cccc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is BYZIGZSSLMFJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-2-16-8-4-6-13-21(16)26-23(28)18-11-7-10-17(14-18)22(27)25-15-19-9-3-5-12-20(19)24/h3-14H,2,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 376.43 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).