3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide

C21H17FN2O2 — CID 109056998

IUPAC3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)cc1
InChIInChI=1S/C21H17FN2O2/c1-14-8-10-18(11-9-14)23-20(25)15-4-2-5-16(12-15)21(26)24-19-7-3-6-17(22)13-19/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyXOKNSPFWKMXTPF-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.64
Rot. Bonds4

About 3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide

3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109056998) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
PubChem CID109056998
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)cc1
InChIInChI=1S/C21H17FN2O2/c1-14-8-10-18(11-9-14)23-20(25)15-4-2-5-16(12-15)21(26)24-19-7-3-6-17(22)13-19/h2-13H,1H3,(H,23,25)(H,24,26)
InChIKeyXOKNSPFWKMXTPF-UHFFFAOYSA-N
XLogP4.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837703
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
N-(3-fluorophenyl)-4-(methylamino)benzamide
CID 62166900
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide (CID 109056998) is 3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide is Cc1ccc(NC(=O)c2cccc(C(=O)Nc3cccc(F)c3)c2)cc1.
What is the InChIKey of 3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is XOKNSPFWKMXTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-14-8-10-18(11-9-14)23-20(25)15-4-2-5-16(12-15)21(26)24-19-7-3-6-17(22)13-19/h2-13H,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide?
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 348.38 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109056998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).