3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide

C18H24Cl2N2O2 — CID 23349811

IUPAC3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1N1CCC(O)C1
InChIInChI=1S/C18H24Cl2N2O2/c1-21(18(24)12-6-7-14(19)15(20)10-12)16-4-2-3-5-17(16)22-9-8-13(23)11-22/h6-7,10,13,16-17,23H,2-5,8-9,11H2,1H3
InChIKeyQSUXPMLDNCTXGZ-UHFFFAOYSA-N
MW371.31 g/mol
LogP3.44
Rot. Bonds3

About 3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide

3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide (PubChem CID 23349811) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide
PubChem CID23349811
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC Name3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1N1CCC(O)C1
InChIInChI=1S/C18H24Cl2N2O2/c1-21(18(24)12-6-7-14(19)15(20)10-12)16-4-2-3-5-17(16)22-9-8-13(23)11-22/h6-7,10,13,16-17,23H,2-5,8-9,11H2,1H3
InChIKeyQSUXPMLDNCTXGZ-UHFFFAOYSA-N
XLogP3.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide
CID 23349757
N-(2-aminocyclohexyl)-3,4-dichloro-N-methylbenzamide
CID 54195832
3,4-dichloro-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-2-oxaspiro[4.5]decan-8-yl]benzamide
CID 18602757
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 19872097
3,4-dichloro-N-[7-(2,5-dihydropyrrol-1-yl)-1,4-dioxaspiro[4.4]nonan-8-yl]-N-methylbenzamide
CID 23315575
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
3,4-dichloro-N-[2-(dimethylamino)cyclohexyl]-N-propan-2-ylbenzamide
CID 154562211
N-[(1R,2R)-2-(but-3-enylamino)cyclohexyl]-3,4-dichloro-N-methylbenzamide
CID 88782199
3-chloro-4-ethoxy-N-[(1S,2S)-2-hydroxycyclohexyl]-N-methylbenzamide
CID 95875729
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide
CID 102631830

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide?
The IUPAC name of 3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide (CID 23349811) is 3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide?
The canonical SMILES for 3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide is CN(C(=O)c1ccc(Cl)c(Cl)c1)C1CCCCC1N1CCC(O)C1.
What is the InChIKey of 3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide?
The InChIKey is QSUXPMLDNCTXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c1-21(18(24)12-6-7-14(19)15(20)10-12)16-4-2-3-5-17(16)22-9-8-13(23)11-22/h6-7,10,13,16-17,23H,2-5,8-9,11H2,1H3.
What are the key properties of 3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide?
3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide has a molecular weight of 371.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(3-hydroxypyrrolidin-1-yl)cyclohexyl]-N-methylbenzamide is sourced from PubChem (CID 23349811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).