4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide

C14H19ClN2O2 — CID 62546983

IUPAC4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(N(C)C(=O)c2ccc(Cl)cc2O)C1
InChIInChI=1S/C14H19ClN2O2/c1-16-7-3-4-11(9-16)17(2)14(19)12-6-5-10(15)8-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3
InChIKeyPOQIEHCGWBNZRU-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.21
Rot. Bonds2

About 4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide

4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 62546983) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID62546983
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(N(C)C(=O)c2ccc(Cl)cc2O)C1
InChIInChI=1S/C14H19ClN2O2/c1-16-7-3-4-11(9-16)17(2)14(19)12-6-5-10(15)8-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3
InChIKeyPOQIEHCGWBNZRU-UHFFFAOYSA-N
XLogP2.21
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-methyl-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
CID 62547833
4-chloro-2-hydroxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79120625
(4-chloro-2-hydroxyphenyl)-[4-(dimethylamino)azepan-1-yl]methanone
CID 56890134
4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 103873474
3-amino-N-methyl-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 105069827
5-chloro-N-cyclobutyl-2-fluoro-N-methylbenzamide
CID 115649144
4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide
CID 110003945
2-amino-4-chloro-N-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 61138918
4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546980
2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 62542296
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
(4-chloro-2-hydroxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61227227

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide (CID 62546983) is 4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide is CN1CCCC(N(C)C(=O)c2ccc(Cl)cc2O)C1.
What is the InChIKey of 4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is POQIEHCGWBNZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-16-7-3-4-11(9-16)17(2)14(19)12-6-5-10(15)8-13(12)18/h5-6,8,11,18H,3-4,7,9H2,1-2H3.
What are the key properties of 4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 282.77 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 62546983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).