3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide

C23H21FN2O3 — CID 109057469

IUPAC3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H21FN2O3/c1-15(2)29-21-12-10-20(11-13-21)26-23(28)17-5-3-4-16(14-17)22(27)25-19-8-6-18(24)7-9-19/h3-15H,1-2H3,(H,25,27)(H,26,28)
InChIKeyIJLOLCXRSDSDBV-UHFFFAOYSA-N
MW392.43 g/mol
LogP5.12
Rot. Bonds6

About 3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide

3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057469) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109057469
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H21FN2O3/c1-15(2)29-21-12-10-20(11-13-21)26-23(28)17-5-3-4-16(14-17)22(27)25-19-8-6-18(24)7-9-19/h3-15H,1-2H3,(H,25,27)(H,26,28)
InChIKeyIJLOLCXRSDSDBV-UHFFFAOYSA-N
XLogP5.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.43
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3-methylphenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109056925
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
4-propan-2-yloxy-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154760
3-[(4-propan-2-yloxyphenyl)carbamoyl]benzenesulfonyl chloride
CID 86649791
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
(2S)-2-[4-[(4-fluorophenyl)carbamoyl]phenoxy]propanoic acid
CID 733394
N-(4-fluorophenyl)-3-(2-methylpropanoylamino)benzamide
CID 889139
N-(3-bromo-4-fluorophenyl)-3-propan-2-yloxybenzamide
CID 104779320
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
3-methyl-N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]benzamide
CID 54822485
1-N-[3-(dimethylamino)propyl]-3-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109053455

Frequently Asked Questions

What is the IUPAC name of 3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide (CID 109057469) is 3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide is CC(C)Oc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is IJLOLCXRSDSDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-15(2)29-21-12-10-20(11-13-21)26-23(28)17-5-3-4-16(14-17)22(27)25-19-8-6-18(24)7-9-19/h3-15H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of 3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide?
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 392.43 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).