N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide

C15H17Cl2NO2 — CID 111750736

IUPACN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCC(O)c1c(Cl)cccc1Cl)C1C2CCCC21
InChIInChI=1S/C15H17Cl2NO2/c16-10-5-2-6-11(17)14(10)12(19)7-18-15(20)13-8-3-1-4-9(8)13/h2,5-6,8-9,12-13,19H,1,3-4,7H2,(H,18,20)
InChIKeySZVIRSLADAVORY-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.19
Rot. Bonds4

About N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide

N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 111750736) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID111750736
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC NameN-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCC(O)c1c(Cl)cccc1Cl)C1C2CCCC21
InChIInChI=1S/C15H17Cl2NO2/c16-10-5-2-6-11(17)14(10)12(19)7-18-15(20)13-8-3-1-4-9(8)13/h2,5-6,8-9,12-13,19H,1,3-4,7H2,(H,18,20)
InChIKeySZVIRSLADAVORY-UHFFFAOYSA-N
XLogP3.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-N-[(2S)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076703
(1R,5S)-N-[(2R)-2-(2,4-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97076704
3-amino-N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119800687
(2R)-N-[(2R)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]pyrrolidine-2-carboxamide
CID 125118275
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 154759784
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71979033
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111750704
(4R)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124596361
(4S)-N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazolidine-4-carboxamide
CID 124596363
benzyl 3-(bicyclo[3.1.0]hexane-6-carbonylamino)-2-hydroxypropanoate
CID 75440912
(2R,3S)-N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-methylmorpholine-3-carboxamide
CID 120934682
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]cyclohexanecarboxamide
CID 111451652

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 111750736) is N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide is O=C(NCC(O)c1c(Cl)cccc1Cl)C1C2CCCC21.
What is the InChIKey of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is SZVIRSLADAVORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c16-10-5-2-6-11(17)14(10)12(19)7-18-15(20)13-8-3-1-4-9(8)13/h2,5-6,8-9,12-13,19H,1,3-4,7H2,(H,18,20).
What are the key properties of N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide?
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 314.21 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 111750736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).