3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide

C20H13F3N2O2 — CID 109057449

IUPAC3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1F)c1cccc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C20H13F3N2O2/c21-14-7-1-2-10-17(14)24-19(26)12-5-3-6-13(11-12)20(27)25-18-15(22)8-4-9-16(18)23/h1-11H,(H,24,26)(H,25,27)
InChIKeyVMZNHLMNDKBBBU-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.61
Rot. Bonds4

About 3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide

3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109057449) has the molecular formula C20H13F3N2O2 and a molecular weight of 370.33 g/mol. Its IUPAC name is 3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
PubChem CID109057449
Molecular FormulaC20H13F3N2O2
Molecular Weight370.33 g/mol
Exact Mass370.09
IUPAC Name3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccccc1F)c1cccc(C(=O)Nc2c(F)cccc2F)c1
InChIInChI=1S/C20H13F3N2O2/c21-14-7-1-2-10-17(14)24-19(26)12-5-3-6-13(11-12)20(27)25-18-15(22)8-4-9-16(18)23/h1-11H,(H,24,26)(H,25,27)
InChIKeyVMZNHLMNDKBBBU-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-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057416
3-N-butan-2-yl-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109051535
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
3-[(2,3-difluorophenyl)carbamoyl]benzoic acid
CID 61076302
1-N-(2,6-difluorophenyl)-3-N-methyl-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057077
3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055208
2,6-difluoro-N-(2-fluorophenyl)pyridine-4-carboxamide
CID 148924135
3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
CID 28974181
N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 798045
5-N-(2,6-difluorophenyl)-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108890
3-N-ethyl-1-N-(2-fluorophenyl)-3-N-phenylbenzene-1,3-dicarboxamide
CID 109057333
1-N-(1,3-benzodioxol-5-yl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057439

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide (CID 109057449) is 3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide is O=C(Nc1ccccc1F)c1cccc(C(=O)Nc2c(F)cccc2F)c1.
What is the InChIKey of 3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is VMZNHLMNDKBBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O2/c21-14-7-1-2-10-17(14)24-19(26)12-5-3-6-13(11-12)20(27)25-18-15(22)8-4-9-16(18)23/h1-11H,(H,24,26)(H,25,27).
What are the key properties of 3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide?
3-N-(2,6-difluorophenyl)-1-N-(2-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-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).