4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide

C23H28FNO3 — CID 143814306

IUPAC4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide
SMILESC/C=C/c1cc(-c2ccccc2F)c(OCCCOC)cc1C(=O)NC(C)C
InChIInChI=1S/C23H28FNO3/c1-5-9-17-14-20(18-10-6-7-11-21(18)24)22(28-13-8-12-27-4)15-19(17)23(26)25-16(2)3/h5-7,9-11,14-16H,8,12-13H2,1-4H3,(H,25,26)/b9-5+
InChIKeyHQBAVYRLIHURBP-WEVVVXLNSA-N
MW385.48 g/mol
LogP5.08
Rot. Bonds9

About 4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide

4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide (PubChem CID 143814306) has the molecular formula C23H28FNO3 and a molecular weight of 385.48 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide
PubChem CID143814306
Molecular FormulaC23H28FNO3
Molecular Weight385.48 g/mol
Exact Mass385.21
IUPAC Name4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide
SMILESC/C=C/c1cc(-c2ccccc2F)c(OCCCOC)cc1C(=O)NC(C)C
InChIInChI=1S/C23H28FNO3/c1-5-9-17-14-20(18-10-6-7-11-21(18)24)22(28-13-8-12-27-4)15-19(17)23(26)25-16(2)3/h5-7,9-11,14-16H,8,12-13H2,1-4H3,(H,25,26)/b9-5+
InChIKeyHQBAVYRLIHURBP-WEVVVXLNSA-N
XLogP5.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide?
The IUPAC name of 4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide (CID 143814306) is 4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide.
What is the SMILES notation for 4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide?
The canonical SMILES for 4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide is C/C=C/c1cc(-c2ccccc2F)c(OCCCOC)cc1C(=O)NC(C)C.
What is the InChIKey of 4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide?
The InChIKey is HQBAVYRLIHURBP-WEVVVXLNSA-N. The full InChI is InChI=1S/C23H28FNO3/c1-5-9-17-14-20(18-10-6-7-11-21(18)24)22(28-13-8-12-27-4)15-19(17)23(26)25-16(2)3/h5-7,9-11,14-16H,8,12-13H2,1-4H3,(H,25,26)/b9-5+.
What are the key properties of 4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide?
4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide has a molecular weight of 385.48 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-(3-methoxypropoxy)-N-propan-2-yl-2-[(E)-prop-1-enyl]benzamide is sourced from PubChem (CID 143814306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).