3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide

C20H13F3N2O2 — CID 109057757

IUPAC3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C20H13F3N2O2/c21-14-5-2-6-16(10-14)24-19(26)12-3-1-4-13(9-12)20(27)25-18-8-7-15(22)11-17(18)23/h1-11H,(H,24,26)(H,25,27)
InChIKeyQMVZTOIMEKIWFO-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.61
Rot. Bonds4

About 3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide

3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109057757) has the molecular formula C20H13F3N2O2 and a molecular weight of 370.33 g/mol. Its IUPAC name is 3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
PubChem CID109057757
Molecular FormulaC20H13F3N2O2
Molecular Weight370.33 g/mol
Exact Mass370.09
IUPAC Name3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1cccc(F)c1)c1cccc(C(=O)Nc2ccc(F)cc2F)c1
InChIInChI=1S/C20H13F3N2O2/c21-14-5-2-6-16(10-14)24-19(26)12-3-1-4-13(9-12)20(27)25-18-8-7-15(22)11-17(18)23/h1-11H,(H,24,26)(H,25,27)
InChIKeyQMVZTOIMEKIWFO-UHFFFAOYSA-N
XLogP4.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057785
1-N-(1,3-benzodioxol-5-yl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057767
4-N-(2-fluorophenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049881
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,4-difluorophenyl)-3-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43156113
2-(2,4-difluoroanilino)-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109270367
N-(2,4-difluorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38764784
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
1-N-(2-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057784
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
3-N-cyclopentyl-1-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109051946
3-[(2,4-difluorophenyl)carbamoylamino]benzoic acid
CID 6464794

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide (CID 109057757) is 3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide is O=C(Nc1cccc(F)c1)c1cccc(C(=O)Nc2ccc(F)cc2F)c1.
What is the InChIKey of 3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is QMVZTOIMEKIWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O2/c21-14-5-2-6-16(10-14)24-19(26)12-3-1-4-13(9-12)20(27)25-18-8-7-15(22)11-17(18)23/h1-11H,(H,24,26)(H,25,27).
What are the key properties of 3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide?
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 370.33 g/mol, XLogP of 4.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).