1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide

C24H23FN2O2 — CID 109054696

IUPAC1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C24H23FN2O2/c1-16(2)21-8-3-4-9-22(21)27-24(29)19-7-5-6-18(14-19)23(28)26-15-17-10-12-20(25)13-11-17/h3-14,16H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyRUUCYWIRNYIITG-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.13
Rot. Bonds6

About 1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide

1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide (PubChem CID 109054696) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
PubChem CID109054696
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C24H23FN2O2/c1-16(2)21-8-3-4-9-22(21)27-24(29)19-7-5-6-18(14-19)23(28)26-15-17-10-12-20(25)13-11-17/h3-14,16H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyRUUCYWIRNYIITG-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

3-N-benzyl-5-N-(2-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109105028
3-[(2-propan-2-ylphenyl)carbamoyl]benzoic acid
CID 43452749
1-N-pentyl-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109056283
3-N-(4-chloro-2-methylphenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054705
1-N-[(2-fluorophenyl)methyl]-4-N-(2-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109047196
1-N-[(4-fluorophenyl)methyl]-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054682
1-N-(2-propan-2-ylphenyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109056611
N-(2-propan-2-ylphenyl)benzamide
CID 723391
3-chloro-N-(2-propan-2-ylphenyl)benzamide
CID 681881
3-(2-aminoethyl)-N-(2-propan-2-ylphenyl)benzamide
CID 62592259
N-(2-propan-2-ylphenyl)-3-(trifluoromethyl)benzamide
CID 2678500
3-N-(2-fluorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055208

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide (CID 109054696) is 1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide is CC(C)c1ccccc1NC(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
The InChIKey is RUUCYWIRNYIITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-16(2)21-8-3-4-9-22(21)27-24(29)19-7-5-6-18(14-19)23(28)26-15-17-10-12-20(25)13-11-17/h3-14,16H,15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide?
1-N-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-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-[(4-fluorophenyl)methyl]-3-N-(2-propan-2-ylphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).