1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide

C16H22ClNO2 — CID 107318994

IUPAC1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide
SMILESO=C(NCCCCCO)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C16H22ClNO2/c17-14-7-4-6-13(12-14)16(8-5-9-16)15(20)18-10-2-1-3-11-19/h4,6-7,12,19H,1-3,5,8-11H2,(H,18,20)
InChIKeyDAGGVKNDTDLDAQ-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.04
Rot. Bonds7

About 1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide

1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide (PubChem CID 107318994) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide
PubChem CID107318994
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide
SMILESO=C(NCCCCCO)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C16H22ClNO2/c17-14-7-4-6-13(12-14)16(8-5-9-16)15(20)18-10-2-1-3-11-19/h4,6-7,12,19H,1-3,5,8-11H2,(H,18,20)
InChIKeyDAGGVKNDTDLDAQ-UHFFFAOYSA-N
XLogP3.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-chlorophenyl)-N-(3-hydroxypropyl)cyclohexane-1-carboxamide
CID 78857739
4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]butanoic acid
CID 43355005
5-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]pentanoic acid
CID 62032503
N-(2-acetamidoethyl)-1-(3-chlorophenyl)cyclobutane-1-carboxamide
CID 46451340
1-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)cyclobutane-1-carboxamide
CID 103825229
N-(2-aminoethyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110464710
1-(3-chlorophenyl)-N-[2-(ethylsulfonylamino)ethyl]cyclobutane-1-carboxamide
CID 51078722
1-(3-chlorophenyl)-N-prop-2-ynylcyclohexane-1-carboxamide
CID 47150754
1-(3-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclobutane-1-carboxamide
CID 86950652
N-[2-(4-aminophenyl)ethyl]-1-(3-chlorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119547500
3-[[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]methyl]benzamide
CID 33097792
1-(3-chlorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 56821672

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide (CID 107318994) is 1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide is O=C(NCCCCCO)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide?
The InChIKey is DAGGVKNDTDLDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c17-14-7-4-6-13(12-14)16(8-5-9-16)15(20)18-10-2-1-3-11-19/h4,6-7,12,19H,1-3,5,8-11H2,(H,18,20).
What are the key properties of 1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(5-hydroxypentyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 107318994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).