[3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate

C24H22FNO3 — CID 134865490

IUPAC[3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate
SMILESO=C(OCC(F)CN(Cc1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22FNO3/c25-22(18-29-24(28)21-14-8-3-9-15-21)17-26(16-19-10-4-1-5-11-19)23(27)20-12-6-2-7-13-20/h1-15,22H,16-18H2
InChIKeyJBQXSAZDNSEJEZ-UHFFFAOYSA-N
MW391.44 g/mol
LogP4.52
Rot. Bonds8

About [3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate

[3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate (PubChem CID 134865490) has the molecular formula C24H22FNO3 and a molecular weight of 391.44 g/mol. Its IUPAC name is [3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate.

Molecular Properties

Compound Name[3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate
PubChem CID134865490
Molecular FormulaC24H22FNO3
Molecular Weight391.44 g/mol
Exact Mass391.16
IUPAC Name[3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate
SMILESO=C(OCC(F)CN(Cc1ccccc1)C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22FNO3/c25-22(18-29-24(28)21-14-8-3-9-15-21)17-26(16-19-10-4-1-5-11-19)23(27)20-12-6-2-7-13-20/h1-15,22H,16-18H2
InChIKeyJBQXSAZDNSEJEZ-UHFFFAOYSA-N
XLogP4.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate?
The IUPAC name of [3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate (CID 134865490) is [3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate.
What is the SMILES notation for [3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate?
The canonical SMILES for [3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate is O=C(OCC(F)CN(Cc1ccccc1)C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate?
The InChIKey is JBQXSAZDNSEJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO3/c25-22(18-29-24(28)21-14-8-3-9-15-21)17-26(16-19-10-4-1-5-11-19)23(27)20-12-6-2-7-13-20/h1-15,22H,16-18H2.
What are the key properties of [3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate?
[3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate has a molecular weight of 391.44 g/mol, XLogP of 4.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[benzoyl(benzyl)amino]-2-fluoropropyl] benzoate is sourced from PubChem (CID 134865490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).