4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide

C21H22FN3O — CID 143026836

IUPAC4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide
SMILESCC1=C(CNC(=O)C(CCN)c2ccccc2)N=C1c1ccc(F)cc1
InChIInChI=1S/C21H22FN3O/c1-14-19(25-20(14)16-7-9-17(22)10-8-16)13-24-21(26)18(11-12-23)15-5-3-2-4-6-15/h2-10,18H,11-13,23H2,1H3,(H,24,26)
InChIKeyVNXRLYLPNPWEEQ-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.15
Rot. Bonds7

About 4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide

4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide (PubChem CID 143026836) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide
PubChem CID143026836
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide
SMILESCC1=C(CNC(=O)C(CCN)c2ccccc2)N=C1c1ccc(F)cc1
InChIInChI=1S/C21H22FN3O/c1-14-19(25-20(14)16-7-9-17(22)10-8-16)13-24-21(26)18(11-12-23)15-5-3-2-4-6-15/h2-10,18H,11-13,23H2,1H3,(H,24,26)
InChIKeyVNXRLYLPNPWEEQ-UHFFFAOYSA-N
XLogP3.15
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide?
The IUPAC name of 4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide (CID 143026836) is 4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide.
What is the SMILES notation for 4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide?
The canonical SMILES for 4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide is CC1=C(CNC(=O)C(CCN)c2ccccc2)N=C1c1ccc(F)cc1.
What is the InChIKey of 4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide?
The InChIKey is VNXRLYLPNPWEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-14-19(25-20(14)16-7-9-17(22)10-8-16)13-24-21(26)18(11-12-23)15-5-3-2-4-6-15/h2-10,18H,11-13,23H2,1H3,(H,24,26).
What are the key properties of 4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide?
4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide has a molecular weight of 351.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(4-fluorophenyl)-3-methylazet-2-yl]methyl]-2-phenylbutanamide is sourced from PubChem (CID 143026836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).