4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide

C22H18F2N2O2 — CID 109046917

IUPAC4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)c1
InChIInChI=1S/C22H18F2N2O2/c1-14-3-2-4-15(11-14)13-25-21(27)16-5-7-17(8-6-16)22(28)26-20-10-9-18(23)12-19(20)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyRFWIGWSUXIRAEK-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.46
Rot. Bonds5

About 4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide

4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 109046917) 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-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
PubChem CID109046917
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
SMILESCc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)c1
InChIInChI=1S/C22H18F2N2O2/c1-14-3-2-4-15(11-14)13-25-21(27)16-5-7-17(8-6-16)22(28)26-20-10-9-18(23)12-19(20)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyRFWIGWSUXIRAEK-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-N-(2,4-difluorophenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046989
1-N-[(3-methylphenyl)methyl]-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046923
6-N-(2,4-difluorophenyl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097480
4-N-(2-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046884
2-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169816
4-(acetamidomethyl)-N-(2,4-difluorophenyl)benzamide
CID 18195856
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9165041
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
3-(2,4-difluoroanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 109019551
tert-butyl N-[[4-[(2,4-difluorophenyl)carbamoyl]phenyl]methyl]carbamate
CID 9078733

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide (CID 109046917) is 4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide is Cc1cccc(CNC(=O)c2ccc(C(=O)Nc3ccc(F)cc3F)cc2)c1.
What is the InChIKey of 4-N-(2,4-difluorophenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is RFWIGWSUXIRAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c1-14-3-2-4-15(11-14)13-25-21(27)16-5-7-17(8-6-16)22(28)26-20-10-9-18(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-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide?
4-N-(2,4-difluorophenyl)-1-N-[(3-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-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).