1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide

C17H24ClNO2 — CID 103825229

IUPAC1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
SMILESCC(C)(CCO)CNC(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C17H24ClNO2/c1-16(2,9-10-20)12-19-15(21)17(7-4-8-17)13-5-3-6-14(18)11-13/h3,5-6,11,20H,4,7-10,12H2,1-2H3,(H,19,21)
InChIKeyVXOWPINWWGPNRZ-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.29
Rot. Bonds6

About 1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide

1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide (PubChem CID 103825229) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
PubChem CID103825229
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
SMILESCC(C)(CCO)CNC(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C17H24ClNO2/c1-16(2,9-10-20)12-19-15(21)17(7-4-8-17)13-5-3-6-14(18)11-13/h3,5-6,11,20H,4,7-10,12H2,1-2H3,(H,19,21)
InChIKeyVXOWPINWWGPNRZ-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide
CID 107318994
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762
N-(2-amino-2-ethylbutyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119639826
1-(3-chlorophenyl)-N-prop-2-ynylcyclohexane-1-carboxamide
CID 47150754
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclopropane-1-carboxamide
CID 103772448
5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 62032503
4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid
CID 43355005
1-(3-chlorophenyl)-N-[2-(ethylsulfonylamino)ethyl]cyclobutane-1-carboxamide
CID 51078722
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520
1-(3-chlorophenyl)-N-cyclobutyl-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 102867355

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide (CID 103825229) is 1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide is CC(C)(CCO)CNC(=O)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide?
The InChIKey is VXOWPINWWGPNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-16(2,9-10-20)12-19-15(21)17(7-4-8-17)13-5-3-6-14(18)11-13/h3,5-6,11,20H,4,7-10,12H2,1-2H3,(H,19,21).
What are the key properties of 1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide has a molecular weight of 309.84 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 103825229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).