N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide

C14H16FNO3 — CID 154879757

IUPACN-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide
SMILESCOc1ccc(C2CC(NC(=O)C3CO3)C2)cc1F
InChIInChI=1S/C14H16FNO3/c1-18-12-3-2-8(6-11(12)15)9-4-10(5-9)16-14(17)13-7-19-13/h2-3,6,9-10,13H,4-5,7H2,1H3,(H,16,17)
InChIKeyYOQJRSDKNWAVSW-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.60
Rot. Bonds4

About N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide

N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide (PubChem CID 154879757) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide
PubChem CID154879757
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide
SMILESCOc1ccc(C2CC(NC(=O)C3CO3)C2)cc1F
InChIInChI=1S/C14H16FNO3/c1-18-12-3-2-8(6-11(12)15)9-4-10(5-9)16-14(17)13-7-19-13/h2-3,6,9-10,13H,4-5,7H2,1H3,(H,16,17)
InChIKeyYOQJRSDKNWAVSW-UHFFFAOYSA-N
XLogP1.60
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(cyclobutylmethyl)-1-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine
CID 120762813
4-[[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]carbamoylamino]butanoic acid
CID 122013472
N-ethyl-3-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 64504260
3-(3-fluoro-4-methoxyphenyl)azetidine
CID 82280860
1-tert-butyl-2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]guanidine;hydroiodide
CID 120762824
6-[[[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 167970790
3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol
CID 64516764
2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020800
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109873
2-fluoro-4-[4-(4-fluorocyclohexyl)cyclohexyl]-1-methoxybenzene
CID 18344262
2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 20792250

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide?
The IUPAC name of N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide (CID 154879757) is N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide.
What is the SMILES notation for N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide?
The canonical SMILES for N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide is COc1ccc(C2CC(NC(=O)C3CO3)C2)cc1F.
What is the InChIKey of N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide?
The InChIKey is YOQJRSDKNWAVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-18-12-3-2-8(6-11(12)15)9-4-10(5-9)16-14(17)13-7-19-13/h2-3,6,9-10,13H,4-5,7H2,1H3,(H,16,17).
What are the key properties of N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide?
N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide has a molecular weight of 265.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]oxirane-2-carboxamide is sourced from PubChem (CID 154879757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).