1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide

C24H23FN2O2 — CID 109047196

IUPAC1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C24H23FN2O2/c1-16(2)20-8-4-6-10-22(20)27-24(29)18-13-11-17(12-14-18)23(28)26-15-19-7-3-5-9-21(19)25/h3-14,16H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyRSWFCBKYSRECLW-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.13
Rot. Bonds6

About 1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide

1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide (PubChem CID 109047196) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
PubChem CID109047196
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
SMILESCC(C)c1ccccc1NC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C24H23FN2O2/c1-16(2)20-8-4-6-10-22(20)27-24(29)18-13-11-17(12-14-18)23(28)26-15-19-7-3-5-9-21(19)25/h3-14,16H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyRSWFCBKYSRECLW-UHFFFAOYSA-N
XLogP5.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(2-fluorophenyl)-1-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049811
2-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109086448
2-[(2-fluorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257062
4-N-(2-propan-2-ylphenyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 109042975
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256936
1-N-butyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109043746
N-(2-propan-2-ylphenyl)benzamide
CID 723391
3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054619
1-N-(3-methoxypropyl)-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109045330
4-N-(2,6-dimethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047191
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109054696

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide (CID 109047196) is 1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide is CC(C)c1ccccc1NC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
The InChIKey is RSWFCBKYSRECLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-16(2)20-8-4-6-10-22(20)27-24(29)18-13-11-17(12-14-18)23(28)26-15-19-7-3-5-9-21(19)25/h3-14,16H,15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide?
1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide has a molecular weight of 390.46 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).