3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide

C25H26FNO3 — CID 4031526

IUPAC3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC(c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C25H26FNO3/c1-17(2)30-23-12-6-19(7-13-23)24(18-4-8-20(26)9-5-18)16-25(28)27-21-10-14-22(29-3)15-11-21/h4-15,17,24H,16H2,1-3H3,(H,27,28)
InChIKeyXNLWJCPLCGWABX-UHFFFAOYSA-N
MW407.49 g/mol
LogP5.78
Rot. Bonds8

About 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide

3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide (PubChem CID 4031526) has the molecular formula C25H26FNO3 and a molecular weight of 407.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
PubChem CID4031526
Molecular FormulaC25H26FNO3
Molecular Weight407.49 g/mol
Exact Mass407.19
IUPAC Name3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CC(c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1
InChIInChI=1S/C25H26FNO3/c1-17(2)30-23-12-6-19(7-13-23)24(18-4-8-20(26)9-5-18)16-25(28)27-21-10-14-22(29-3)15-11-21/h4-15,17,24H,16H2,1-3H3,(H,27,28)
InChIKeyXNLWJCPLCGWABX-UHFFFAOYSA-N
XLogP5.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.49
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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VU0357121
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Benzamide, N-(4-ethoxyphenyl)-
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Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-diethylphenyl)-2-methyl-
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Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-methyl-
CID 3072807
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-2-methyl-N-(2-(1-methylethyl)phenyl)-
CID 3072808
Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-fluoro-
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Dibenz(b,e)oxepin-11-carboxamide, 6,11-dihydro-N-(2,6-bis(1-methylethyl)phenyl)-2-(trifluoromethyl)-
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N-(4-Ethoxyphenyl)-4-methoxybenzamide
CID 584690

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide (CID 4031526) is 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide is COc1ccc(NC(=O)CC(c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
The InChIKey is XNLWJCPLCGWABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FNO3/c1-17(2)30-23-12-6-19(7-13-23)24(18-4-8-20(26)9-5-18)16-25(28)27-21-10-14-22(29-3)15-11-21/h4-15,17,24H,16H2,1-3H3,(H,27,28).
What are the key properties of 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide?
3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide has a molecular weight of 407.49 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 4031526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).