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

C26H26FNO3 — CID 11960053

IUPACN-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2ccccc2C(=O)N(CCCOc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C26H26FNO3/c1-30-22-13-7-19(8-14-22)24-5-2-3-6-25(24)26(29)28(21-11-12-21)17-4-18-31-23-15-9-20(27)10-16-23/h2-3,5-10,13-16,21H,4,11-12,17-18H2,1H3
InChIKeyDAPPBMIAPPMVEV-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.57
Rot. Bonds9

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

N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(4-methoxyphenyl)benzamide (PubChem CID 11960053) has the molecular formula C26H26FNO3 and a molecular weight of 419.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(4-methoxyphenyl)benzamide
PubChem CID11960053
Molecular FormulaC26H26FNO3
Molecular Weight419.50 g/mol
Exact Mass419.19
IUPAC NameN-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(-c2ccccc2C(=O)N(CCCOc2ccc(F)cc2)C2CC2)cc1
InChIInChI=1S/C26H26FNO3/c1-30-22-13-7-19(8-14-22)24-5-2-3-6-25(24)26(29)28(21-11-12-21)17-4-18-31-23-15-9-20(27)10-16-23/h2-3,5-10,13-16,21H,4,11-12,17-18H2,1H3
InChIKeyDAPPBMIAPPMVEV-UHFFFAOYSA-N
XLogP5.57
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.57
H-Bond Donors ≤ 50
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 N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(4-methoxyphenyl)benzamide?
The IUPAC name of N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(4-methoxyphenyl)benzamide (CID 11960053) is N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(4-methoxyphenyl)benzamide.
What is the SMILES notation for N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(4-methoxyphenyl)benzamide?
The canonical SMILES for N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(4-methoxyphenyl)benzamide is COc1ccc(-c2ccccc2C(=O)N(CCCOc2ccc(F)cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(4-methoxyphenyl)benzamide?
The InChIKey is DAPPBMIAPPMVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FNO3/c1-30-22-13-7-19(8-14-22)24-5-2-3-6-25(24)26(29)28(21-11-12-21)17-4-18-31-23-15-9-20(27)10-16-23/h2-3,5-10,13-16,21H,4,11-12,17-18H2,1H3.
What are the key properties of N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(4-methoxyphenyl)benzamide?
N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(4-methoxyphenyl)benzamide has a molecular weight of 419.50 g/mol, XLogP of 5.57, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[3-(4-fluorophenoxy)propyl]-2-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 11960053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).