2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide

C17H13Cl4NO — CID 121377181

IUPAC2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide
SMILESO=C(N[C@H]1CC[C@H]1c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl4NO/c18-9-4-5-10(14(21)8-9)11-6-7-15(11)22-17(23)16-12(19)2-1-3-13(16)20/h1-5,8,11,15H,6-7H2,(H,22,23)/t11-,15-/m0/s1
InChIKeyCLHUPYQLRJIEIL-NHYWBVRUSA-N
MW389.11 g/mol
LogP5.98
Rot. Bonds3

About 2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide

2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide (PubChem CID 121377181) has the molecular formula C17H13Cl4NO and a molecular weight of 389.11 g/mol. Its IUPAC name is 2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide
PubChem CID121377181
Molecular FormulaC17H13Cl4NO
Molecular Weight389.11 g/mol
Exact Mass386.98
IUPAC Name2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide
SMILESO=C(N[C@H]1CC[C@H]1c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H13Cl4NO/c18-9-4-5-10(14(21)8-9)11-6-7-15(11)22-17(23)16-12(19)2-1-3-13(16)20/h1-5,8,11,15H,6-7H2,(H,22,23)/t11-,15-/m0/s1
InChIKeyCLHUPYQLRJIEIL-NHYWBVRUSA-N
XLogP5.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.11
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide (CID 121377181) is 2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide is O=C(N[C@H]1CC[C@H]1c1ccc(Cl)cc1Cl)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide?
The InChIKey is CLHUPYQLRJIEIL-NHYWBVRUSA-N. The full InChI is InChI=1S/C17H13Cl4NO/c18-9-4-5-10(14(21)8-9)11-6-7-15(11)22-17(23)16-12(19)2-1-3-13(16)20/h1-5,8,11,15H,6-7H2,(H,22,23)/t11-,15-/m0/s1.
What are the key properties of 2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide?
2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide has a molecular weight of 389.11 g/mol, XLogP of 5.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(1S,2S)-2-(2,4-dichlorophenyl)cyclobutyl]benzamide is sourced from PubChem (CID 121377181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).