ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide

C15H22FNO3 — CID 142514919

IUPACethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide
SMILESCC.COC1(OC)CC(C(N)=O)(c2cccc(F)c2)C1
InChIInChI=1S/C13H16FNO3.C2H6/c1-17-13(18-2)7-12(8-13,11(15)16)9-4-3-5-10(14)6-9;1-2/h3-6H,7-8H2,1-2H3,(H2,15,16);1-2H3
InChIKeyQILSOCUHKGRXIV-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.36
Rot. Bonds4

About ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide

ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide (PubChem CID 142514919) has the molecular formula C15H22FNO3 and a molecular weight of 283.34 g/mol. Its IUPAC name is ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide.

Molecular Properties

Compound Nameethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide
PubChem CID142514919
Molecular FormulaC15H22FNO3
Molecular Weight283.34 g/mol
Exact Mass283.16
IUPAC Nameethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide
SMILESCC.COC1(OC)CC(C(N)=O)(c2cccc(F)c2)C1
InChIInChI=1S/C13H16FNO3.C2H6/c1-17-13(18-2)7-12(8-13,11(15)16)9-4-3-5-10(14)6-9;1-2/h3-6H,7-8H2,1-2H3,(H2,15,16);1-2H3
InChIKeyQILSOCUHKGRXIV-UHFFFAOYSA-N
XLogP2.36
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1-(3-fluorophenyl)-3,3-dimethoxycyclobutyl]methanamine
CID 64905235
1-(3-fluorophenyl)-3-formamido-3-N-methylcyclobutane-1,3-dicarboxamide
CID 137419677
2-(3-fluorophenyl)-6-hydroxy-8-oxo-5,7-diazaspiro[3.4]octane-2-carboxamide
CID 137413981
1-(3-bromophenyl)-3,3-dimethylcyclobutane-1-carboxamide
CID 166079994
5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008380
methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate
CID 115041992
(2-amino-2-oxoethyl) 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 16526221
[3-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxy-2-oxopropyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 3976420
2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid
CID 65006564
4-(3-fluorophenyl)-4-methoxypiperidine
CID 105463022
N-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26364802
N-[2-(2-amino-2-oxoethoxy)ethyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 75381149

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide?
The IUPAC name of ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide (CID 142514919) is ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide.
What is the SMILES notation for ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide?
The canonical SMILES for ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide is CC.COC1(OC)CC(C(N)=O)(c2cccc(F)c2)C1.
What is the InChIKey of ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide?
The InChIKey is QILSOCUHKGRXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3.C2H6/c1-17-13(18-2)7-12(8-13,11(15)16)9-4-3-5-10(14)6-9;1-2/h3-6H,7-8H2,1-2H3,(H2,15,16);1-2H3.
What are the key properties of ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide?
ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide has a molecular weight of 283.34 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-fluorophenyl)-3,3-dimethoxycyclobutane-1-carboxamide is sourced from PubChem (CID 142514919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).