N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide

C12H14FNO2 — CID 172576185

IUPACN-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide
SMILESCc1ccc(NC(=O)C2(C)COC2)cc1F
InChIInChI=1S/C12H14FNO2/c1-8-3-4-9(5-10(8)13)14-11(15)12(2)6-16-7-12/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyVZYNHMLTZRECEX-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.11
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide

N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide (PubChem CID 172576185) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide
PubChem CID172576185
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide
SMILESCc1ccc(NC(=O)C2(C)COC2)cc1F
InChIInChI=1S/C12H14FNO2/c1-8-3-4-9(5-10(8)13)14-11(15)12(2)6-16-7-12/h3-5H,6-7H2,1-2H3,(H,14,15)
InChIKeyVZYNHMLTZRECEX-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-4-sulfanylphenyl)-3-methyloxetane-3-carboxamide
CID 167232888
N-(4-fluorophenyl)-3-methyloxetane-3-carboxamide
CID 71278100
N-(3-fluoro-4-methylphenyl)-3-methylpyrrolidine-3-carboxamide
CID 55165517
2,2-dichloro-N-(3-fluoro-4-methylphenyl)-1-methylcyclopropane-1-carboxamide
CID 42910477
1-amino-N-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 65465257
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-(3-fluoro-4-methylphenyl)cyclohexane-1-carboxamide
CID 88600403
1-[(3-fluoro-4-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62096062
N-(4-fluoro-3-methylphenyl)-3-(hydroxymethyl)oxetane-3-carboxamide
CID 115185183
N-(3-fluoro-4-methylphenyl)-1-(2-methylphenyl)cyclopropane-1-carboxamide
CID 155944841
N-(3-fluoro-4-methylphenyl)-1-(4-methylphenyl)sulfonylcyclopropane-1-carboxamide
CID 4110794
3-methyl-N-(4-phenoxyphenyl)oxetane-3-carboxamide
CID 146022356
5-ethyl-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 46422285

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide (CID 172576185) is N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide is Cc1ccc(NC(=O)C2(C)COC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide?
The InChIKey is VZYNHMLTZRECEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-8-3-4-9(5-10(8)13)14-11(15)12(2)6-16-7-12/h3-5H,6-7H2,1-2H3,(H,14,15).
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide?
N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide has a molecular weight of 223.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-methyloxetane-3-carboxamide is sourced from PubChem (CID 172576185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).