4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide

C22H18F2N2O2 — CID 109046989

IUPAC4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C22H18F2N2O2/c1-14-2-4-15(5-3-14)13-25-21(27)16-6-8-17(9-7-16)22(28)26-20-11-10-18(23)12-19(20)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyGQHZVINUNKILFF-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.46
Rot. Bonds5

About 4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide

4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 109046989) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
PubChem CID109046989
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCc1ccc(CNC(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)cc1
InChIInChI=1S/C22H18F2N2O2/c1-14-2-4-15(5-3-14)13-25-21(27)16-6-8-17(9-7-16)22(28)26-20-11-10-18(23)12-19(20)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyGQHZVINUNKILFF-UHFFFAOYSA-N
XLogP4.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide
CID 18195856
4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046917
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
tert-butyl N-[[4-[(2,4-difluorophenyl)carbamoyl]phenyl]methyl]carbamate
CID 9078733
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2,4-difluorophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1290601
5-N-(2,4-difluorophenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106175
N-(2,4-difluorophenyl)-4-(methylsulfonylmethyl)benzamide
CID 9095339
4-bromo-3-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 47421954
1-[2-(2,4-difluoroanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide
CID 50844755
4-N-(4-ethylphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046969

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide (CID 109046989) is 4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide is Cc1ccc(CNC(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)cc1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is GQHZVINUNKILFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c1-14-2-4-15(5-3-14)13-25-21(27)16-6-8-17(9-7-16)22(28)26-20-11-10-18(23)12-19(20)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide?
4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 380.39 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).