N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide

C14H19FN2O — CID 115159147

IUPACN-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
SMILESCC(C)(CNC(=O)C1CNC1)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-14(2,11-4-3-5-12(15)6-11)9-17-13(18)10-7-16-8-10/h3-6,10,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyPWFWYLIWSJHQBW-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.44
Rot. Bonds4

About N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide

N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide (PubChem CID 115159147) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
PubChem CID115159147
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC NameN-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
SMILESCC(C)(CNC(=O)C1CNC1)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c1-14(2,11-4-3-5-12(15)6-11)9-17-13(18)10-7-16-8-10/h3-6,10,16H,7-9H2,1-2H3,(H,17,18)
InChIKeyPWFWYLIWSJHQBW-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluorophenyl)-2-methylpropyl]triazolidine-4-carboxamide
CID 134068687
N-[2-methyl-2-(4-methylphenyl)propyl]azetidine-3-carboxamide
CID 115159125
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
N-[2-(2-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide
CID 115159146
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119796132
N-[2-(3-fluorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120634720
4-[[2-(4-fluorophenyl)-2-methylpropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673501
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide
CID 119939575

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide (CID 115159147) is N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide is CC(C)(CNC(=O)C1CNC1)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide?
The InChIKey is PWFWYLIWSJHQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-14(2,11-4-3-5-12(15)6-11)9-17-13(18)10-7-16-8-10/h3-6,10,16H,7-9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide?
N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methylpropyl]azetidine-3-carboxamide is sourced from PubChem (CID 115159147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).