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

C22H18F2N2O2 — CID 109057283

IUPAC1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)c1C
InChIInChI=1S/C22H18F2N2O2/c1-13-5-3-8-20(14(13)2)26-22(28)16-7-4-6-15(11-16)21(27)25-17-9-10-18(23)19(24)12-17/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyQDCKXOQSFYULSN-UHFFFAOYSA-N
MW380.39 g/mol
LogP5.09
Rot. Bonds4

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

1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057283) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
PubChem CID109057283
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)c1C
InChIInChI=1S/C22H18F2N2O2/c1-13-5-3-8-20(14(13)2)26-22(28)16-7-4-6-15(11-16)21(27)25-17-9-10-18(23)19(24)12-17/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeyQDCKXOQSFYULSN-UHFFFAOYSA-N
XLogP5.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(4-acetylphenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057272
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057618
4-amino-N-(2,3-dimethylphenyl)-3,5-difluorobenzamide
CID 63187147
2-N-(3-chloro-4-fluorophenyl)-4-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109092121
3-N-(3,4-difluorophenyl)-1-N-[4-(dimethylamino)phenyl]benzene-1,3-dicarboxamide
CID 109057750
3-[(4-fluoro-3-methylphenyl)carbamoyl]benzoic acid
CID 62812413
1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050570
N-(3,4-difluorophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
CID 109127862
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
N-(2,3-dimethylphenyl)-3-(trifluoromethyl)benzamide
CID 850563
N-(3,4-difluorophenyl)-3-methyl-4-(methylamino)benzamide
CID 63210412

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide (CID 109057283) is 1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide is Cc1cccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)c1C.
What is the InChIKey of 1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is QDCKXOQSFYULSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c1-13-5-3-8-20(14(13)2)26-22(28)16-7-4-6-15(11-16)21(27)25-17-9-10-18(23)19(24)12-17/h3-12H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide?
1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide has a molecular weight of 380.39 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).