N-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide

C17H23F2NO — CID 167949365

IUPACN-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESCCN(C(=O)C1CC(F)(c2cccc(F)c2)C1)C(C)(C)C
InChIInChI=1S/C17H23F2NO/c1-5-20(16(2,3)4)15(21)12-10-17(19,11-12)13-7-6-8-14(18)9-13/h6-9,12H,5,10-11H2,1-4H3
InChIKeyBIXYKBNBGDTDIO-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.05
Rot. Bonds3

About N-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide

N-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide (PubChem CID 167949365) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is N-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide
PubChem CID167949365
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC NameN-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide
SMILESCCN(C(=O)C1CC(F)(c2cccc(F)c2)C1)C(C)(C)C
InChIInChI=1S/C17H23F2NO/c1-5-20(16(2,3)4)15(21)12-10-17(19,11-12)13-7-6-8-14(18)9-13/h6-9,12H,5,10-11H2,1-4H3
InChIKeyBIXYKBNBGDTDIO-UHFFFAOYSA-N
XLogP4.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxylate;3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 159904167
[(E)-[amino-[3-fluoro-3-(3-fluorophenyl)cyclobutyl]methylidene]amino] 2-chloroacetate
CID 142422245
5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115033859
N-tert-butyl-2-ethylsulfonyl-N-[(3-fluorophenyl)methyl]acetamide
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1-(3-fluorophenyl)-2-methylcyclopropan-1-ol
CID 79333941
N-[1-(3-fluorophenyl)cyclopropyl]-2,2-dimethylpropanamide
CID 110479683
[2-(3-fluorophenyl)-2-methylcyclopropyl]methanol
CID 81358099
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
(1R)-2-(3-fluorophenyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 105479070
2-(N-ethyl-3-fluoroanilino)-2-methylpropanoic acid
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1-[2-(3-fluorophenyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 62703823
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2,2-dimethylpropanamide
CID 47071322

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide (CID 167949365) is N-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide is CCN(C(=O)C1CC(F)(c2cccc(F)c2)C1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide?
The InChIKey is BIXYKBNBGDTDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-5-20(16(2,3)4)15(21)12-10-17(19,11-12)13-7-6-8-14(18)9-13/h6-9,12H,5,10-11H2,1-4H3.
What are the key properties of N-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide?
N-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide has a molecular weight of 295.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-ethyl-3-fluoro-3-(3-fluorophenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 167949365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).