(1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate

C19H20FN3O3 — CID 71465769

IUPAC(1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate
SMILESCC(=O)N1CC(COC(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)C1
InChIInChI=1S/C19H20FN3O3/c1-12(24)23-9-13(10-23)11-26-19(25)22-18-8-15(4-7-17(18)21)14-2-5-16(20)6-3-14/h2-8,13H,9-11,21H2,1H3,(H,22,25)
InChIKeyJJHBLTQWNOTZHG-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.10
Rot. Bonds4

About (1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate

(1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate (PubChem CID 71465769) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is (1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate.

Molecular Properties

Compound Name(1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate
PubChem CID71465769
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name(1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate
SMILESCC(=O)N1CC(COC(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)C1
InChIInChI=1S/C19H20FN3O3/c1-12(24)23-9-13(10-23)11-26-19(25)22-18-8-15(4-7-17(18)21)14-2-5-16(20)6-3-14/h2-8,13H,9-11,21H2,1H3,(H,22,25)
InChIKeyJJHBLTQWNOTZHG-UHFFFAOYSA-N
XLogP3.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
The IUPAC name of (1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate (CID 71465769) is (1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate.
What is the SMILES notation for (1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
The canonical SMILES for (1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate is CC(=O)N1CC(COC(=O)Nc2cc(-c3ccc(F)cc3)ccc2N)C1.
What is the InChIKey of (1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
The InChIKey is JJHBLTQWNOTZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-12(24)23-9-13(10-23)11-26-19(25)22-18-8-15(4-7-17(18)21)14-2-5-16(20)6-3-14/h2-8,13H,9-11,21H2,1H3,(H,22,25).
What are the key properties of (1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate?
(1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate has a molecular weight of 357.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylazetidin-3-yl)methyl N-[2-amino-5-(4-fluorophenyl)phenyl]carbamate is sourced from PubChem (CID 71465769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).