N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide

C18H19ClFN3O — CID 71923317

IUPACN-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide
SMILESNc1ccc(F)c(NC(=O)CCN2CCC2c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClFN3O/c19-13-3-1-12(2-4-13)17-7-9-23(17)10-8-18(24)22-16-11-14(21)5-6-15(16)20/h1-6,11,17H,7-10,21H2,(H,22,24)
InChIKeyAOJAAZARHPWUNX-UHFFFAOYSA-N
MW347.82 g/mol
LogP3.84
Rot. Bonds5

About N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide

N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide (PubChem CID 71923317) has the molecular formula C18H19ClFN3O and a molecular weight of 347.82 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide
PubChem CID71923317
Molecular FormulaC18H19ClFN3O
Molecular Weight347.82 g/mol
Exact Mass347.12
IUPAC NameN-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide
SMILESNc1ccc(F)c(NC(=O)CCN2CCC2c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClFN3O/c19-13-3-1-12(2-4-13)17-7-9-23(17)10-8-18(24)22-16-11-14(21)5-6-15(16)20/h1-6,11,17H,7-10,21H2,(H,22,24)
InChIKeyAOJAAZARHPWUNX-UHFFFAOYSA-N
XLogP3.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide (CID 71923317) is N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide is Nc1ccc(F)c(NC(=O)CCN2CCC2c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide?
The InChIKey is AOJAAZARHPWUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O/c19-13-3-1-12(2-4-13)17-7-9-23(17)10-8-18(24)22-16-11-14(21)5-6-15(16)20/h1-6,11,17H,7-10,21H2,(H,22,24).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide?
N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide has a molecular weight of 347.82 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide is sourced from PubChem (CID 71923317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).