1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide

C20H12F4N2O2 — CID 3596826

IUPAC1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H12F4N2O2/c21-13-5-7-17(15(23)9-13)25-19(27)11-1-2-12(4-3-11)20(28)26-18-8-6-14(22)10-16(18)24/h1-10H,(H,25,27)(H,26,28)
InChIKeyLDWDXRUCRRWAAQ-UHFFFAOYSA-N
MW388.32 g/mol
LogP4.75
Rot. Bonds4

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

1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide (PubChem CID 3596826) has the molecular formula C20H12F4N2O2 and a molecular weight of 388.32 g/mol. Its IUPAC name is 1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
PubChem CID3596826
Molecular FormulaC20H12F4N2O2
Molecular Weight388.32 g/mol
Exact Mass388.08
IUPAC Name1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1
InChIInChI=1S/C20H12F4N2O2/c21-13-5-7-17(15(23)9-13)25-19(27)11-1-2-12(4-3-11)20(28)26-18-8-6-14(22)10-16(18)24/h1-10H,(H,25,27)(H,26,28)
InChIKeyLDWDXRUCRRWAAQ-UHFFFAOYSA-N
XLogP4.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
N-(2,4-difluorophenyl)-3,5-dihydroxybenzamide
CID 103891425
1-N-(2,4-difluorophenyl)-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049743
N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339
4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 109044182
4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide
CID 18195856
4-(azepane-1-carbonyl)-N-(2,4-difluorophenyl)benzamide
CID 109049185
N-(2,4-difluorophenyl)-4-propan-2-ylsulfonylbenzamide
CID 41148674
2,6-dichloro-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 26722050
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
3-amino-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 16784210
N-(2,4-difluorophenyl)-4-propoxybenzamide
CID 2295357

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide (CID 3596826) is 1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide is O=C(Nc1ccc(F)cc1F)c1ccc(C(=O)Nc2ccc(F)cc2F)cc1.
What is the InChIKey of 1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide?
The InChIKey is LDWDXRUCRRWAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N2O2/c21-13-5-7-17(15(23)9-13)25-19(27)11-1-2-12(4-3-11)20(28)26-18-8-6-14(22)10-16(18)24/h1-10H,(H,25,27)(H,26,28).
What are the key properties of 1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide has a molecular weight of 388.32 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 3596826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).