N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide

C11H13FN2O — CID 134177696

IUPACN-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
SMILESCc1cccc(F)c1NC(=O)N1CCC1
InChIInChI=1S/C11H13FN2O/c1-8-4-2-5-9(12)10(8)13-11(15)14-6-3-7-14/h2,4-5H,3,6-7H2,1H3,(H,13,15)
InChIKeyIBCPWGFFQODNBF-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.37
Rot. Bonds1

About N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide

N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide (PubChem CID 134177696) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
PubChem CID134177696
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC NameN-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide
SMILESCc1cccc(F)c1NC(=O)N1CCC1
InChIInChI=1S/C11H13FN2O/c1-8-4-2-5-9(12)10(8)13-11(15)14-6-3-7-14/h2,4-5H,3,6-7H2,1H3,(H,13,15)
InChIKeyIBCPWGFFQODNBF-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide?
The IUPAC name of N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide (CID 134177696) is N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide?
The canonical SMILES for N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide is Cc1cccc(F)c1NC(=O)N1CCC1.
What is the InChIKey of N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide?
The InChIKey is IBCPWGFFQODNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-8-4-2-5-9(12)10(8)13-11(15)14-6-3-7-14/h2,4-5H,3,6-7H2,1H3,(H,13,15).
What are the key properties of N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide?
N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide has a molecular weight of 208.24 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-methylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 134177696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).