4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide

C15H20ClNO3 — CID 110003945

IUPAC4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide
SMILESCN(CC1CCCCC1O)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C15H20ClNO3/c1-17(9-10-4-2-3-5-13(10)18)15(20)12-7-6-11(16)8-14(12)19/h6-8,10,13,18-19H,2-5,9H2,1H3
InChIKeyIYQMDZJNIITQPM-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.67
Rot. Bonds3

About 4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide

4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide (PubChem CID 110003945) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide
PubChem CID110003945
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide
SMILESCN(CC1CCCCC1O)C(=O)c1ccc(Cl)cc1O
InChIInChI=1S/C15H20ClNO3/c1-17(9-10-4-2-3-5-13(10)18)15(20)12-7-6-11(16)8-14(12)19/h6-8,10,13,18-19H,2-5,9H2,1H3
InChIKeyIYQMDZJNIITQPM-UHFFFAOYSA-N
XLogP2.67
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-N-methylbenzamide
CID 110003382
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N,2-dimethylpyridine-3-carboxamide
CID 110003317
6-chloro-N-[(2-hydroxycyclohexyl)methyl]-N-methylquinoline-8-carboxamide
CID 110003642
N-(cyclopentylmethyl)-2,4-dihydroxy-N-methylbenzamide
CID 113347161
4-chloro-2-hydroxy-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62335326
2-bromo-N-[(2-hydroxycyclopentyl)methyl]-4-methoxy-N-methylbenzamide
CID 109399821
4-chloro-2-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546983
4-chloro-N-(2,2-difluoroethyl)-2-hydroxy-N-methylbenzamide
CID 115611590
4-chloro-N-cyclopentyl-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994214
4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide
CID 63391333
N-(2-bromopropyl)-4-chloro-2-hydroxy-N-methylbenzamide
CID 80666240
4-chloro-N-[[2-(chloromethyl)cyclohexyl]methyl]-2-hydroxybenzamide
CID 114307019

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide (CID 110003945) is 4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide is CN(CC1CCCCC1O)C(=O)c1ccc(Cl)cc1O.
What is the InChIKey of 4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide?
The InChIKey is IYQMDZJNIITQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-17(9-10-4-2-3-5-13(10)18)15(20)12-7-6-11(16)8-14(12)19/h6-8,10,13,18-19H,2-5,9H2,1H3.
What are the key properties of 4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide?
4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide has a molecular weight of 297.78 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-N-[(2-hydroxycyclohexyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 110003945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).