N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide

C25H23F2NO2 — CID 11960135

IUPACN-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide
SMILESO=C(c1ccccc1-c1cccc(F)c1)N(CCCOc1ccc(F)cc1)C1CC1
InChIInChI=1S/C25H23F2NO2/c26-19-9-13-22(14-10-19)30-16-4-15-28(21-11-12-21)25(29)24-8-2-1-7-23(24)18-5-3-6-20(27)17-18/h1-3,5-10,13-14,17,21H,4,11-12,15-16H2
InChIKeyMWKAZKPYPBORRI-UHFFFAOYSA-N
MW407.46 g/mol
LogP5.71
Rot. Bonds8

About N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide

N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide (PubChem CID 11960135) has the molecular formula C25H23F2NO2 and a molecular weight of 407.46 g/mol. Its IUPAC name is N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide
PubChem CID11960135
Molecular FormulaC25H23F2NO2
Molecular Weight407.46 g/mol
Exact Mass407.17
IUPAC NameN-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide
SMILESO=C(c1ccccc1-c1cccc(F)c1)N(CCCOc1ccc(F)cc1)C1CC1
InChIInChI=1S/C25H23F2NO2/c26-19-9-13-22(14-10-19)30-16-4-15-28(21-11-12-21)25(29)24-8-2-1-7-23(24)18-5-3-6-20(27)17-18/h1-3,5-10,13-14,17,21H,4,11-12,15-16H2
InChIKeyMWKAZKPYPBORRI-UHFFFAOYSA-N
XLogP5.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.46
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide?
The IUPAC name of N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide (CID 11960135) is N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide is O=C(c1ccccc1-c1cccc(F)c1)N(CCCOc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide?
The InChIKey is MWKAZKPYPBORRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2NO2/c26-19-9-13-22(14-10-19)30-16-4-15-28(21-11-12-21)25(29)24-8-2-1-7-23(24)18-5-3-6-20(27)17-18/h1-3,5-10,13-14,17,21H,4,11-12,15-16H2.
What are the key properties of N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide?
N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide has a molecular weight of 407.46 g/mol, XLogP of 5.71, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(3-fluorophenyl)benzamide is sourced from PubChem (CID 11960135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).