5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide

C18H21FN2O2 — CID 91592075

IUPAC5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide
SMILESNC(=O)C(CCCc1ccc(N)cc1)OCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2/c19-15-8-4-14(5-9-15)12-23-17(18(21)22)3-1-2-13-6-10-16(20)11-7-13/h4-11,17H,1-3,12,20H2,(H2,21,22)
InChIKeySDOPXTNGDAGUAZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.80
Rot. Bonds8

About 5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide

5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide (PubChem CID 91592075) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide.

Molecular Properties

Compound Name5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide
PubChem CID91592075
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide
SMILESNC(=O)C(CCCc1ccc(N)cc1)OCc1ccc(F)cc1
InChIInChI=1S/C18H21FN2O2/c19-15-8-4-14(5-9-15)12-23-17(18(21)22)3-1-2-13-6-10-16(20)11-7-13/h4-11,17H,1-3,12,20H2,(H2,21,22)
InChIKeySDOPXTNGDAGUAZ-UHFFFAOYSA-N
XLogP2.80
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide?
The IUPAC name of 5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide (CID 91592075) is 5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide.
What is the SMILES notation for 5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide?
The canonical SMILES for 5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide is NC(=O)C(CCCc1ccc(N)cc1)OCc1ccc(F)cc1.
What is the InChIKey of 5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide?
The InChIKey is SDOPXTNGDAGUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-15-8-4-14(5-9-15)12-23-17(18(21)22)3-1-2-13-6-10-16(20)11-7-13/h4-11,17H,1-3,12,20H2,(H2,21,22).
What are the key properties of 5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide?
5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide has a molecular weight of 316.38 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-2-[(4-fluorophenyl)methoxy]pentanamide is sourced from PubChem (CID 91592075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).