1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide

C22H18F2N2O2 — CID 2811694

IUPAC1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccccc1C(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C22H18F2N2O2/c1-13-11-15(23)7-9-19(13)25-21(27)17-5-3-4-6-18(17)22(28)26-20-10-8-16(24)12-14(20)2/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeySFACHVZLIOSYHT-UHFFFAOYSA-N
MW380.39 g/mol
LogP5.09
Rot. Bonds4

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

1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide (PubChem CID 2811694) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
PubChem CID2811694
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
SMILESCc1cc(F)ccc1NC(=O)c1ccccc1C(=O)Nc1ccc(F)cc1C
InChIInChI=1S/C22H18F2N2O2/c1-13-11-15(23)7-9-19(13)25-21(27)17-5-3-4-6-18(17)22(28)26-20-10-8-16(24)12-14(20)2/h3-12H,1-2H3,(H,25,27)(H,26,28)
InChIKeySFACHVZLIOSYHT-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

N-(4-fluoro-2-methylphenyl)-2-iodobenzamide
CID 7924517
N-(4-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7751902
2-(ethylamino)-N-(4-fluoro-2-methylphenyl)benzamide
CID 62165548
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
2-chloro-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 6468797
2-bromo-4-fluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 9192994
2,3,4,5-tetrafluoro-N-(4-fluoro-2-methylphenyl)benzamide
CID 2397902
N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 8866395
N-(4-fluoro-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 7924533
N-(4-fluoro-2-methylphenyl)quinoline-4-carboxamide
CID 78814142
N-(2,4-dimethylphenyl)-2-fluorobenzamide
CID 579639
N-(4-fluoro-2-methylphenyl)naphthalene-2-carboxamide
CID 7751885

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide (CID 2811694) is 1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide is Cc1cc(F)ccc1NC(=O)c1ccccc1C(=O)Nc1ccc(F)cc1C.
What is the InChIKey of 1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide?
The InChIKey is SFACHVZLIOSYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c1-13-11-15(23)7-9-19(13)25-21(27)17-5-3-4-6-18(17)22(28)26-20-10-8-16(24)12-14(20)2/h3-12H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide?
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-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,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 2811694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).