2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide

C15H20ClNO3 — CID 106502468

IUPAC2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
SMILESCC1CCC(O)(CNC(=O)c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C15H20ClNO3/c1-10-4-6-15(20,7-5-10)9-17-14(19)12-8-11(18)2-3-13(12)16/h2-3,8,10,18,20H,4-7,9H2,1H3,(H,17,19)
InChIKeyIAZDLLCBLJFHBY-UHFFFAOYSA-N
MW297.78 g/mol
LogP2.72
Rot. Bonds3

About 2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide

2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide (PubChem CID 106502468) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
PubChem CID106502468
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
SMILESCC1CCC(O)(CNC(=O)c2cc(O)ccc2Cl)CC1
InChIInChI=1S/C15H20ClNO3/c1-10-4-6-15(20,7-5-10)9-17-14(19)12-8-11(18)2-3-13(12)16/h2-3,8,10,18,20H,4-7,9H2,1H3,(H,17,19)
InChIKeyIAZDLLCBLJFHBY-UHFFFAOYSA-N
XLogP2.72
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119441
4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119892
4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119782
4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide
CID 65119535
2-chloro-N-[1-(chloromethyl)-4-methylcyclohexyl]-5-hydroxybenzamide
CID 106503135
3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 65118546
2-chloro-5-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418935
2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3,5-diiodobenzamide
CID 65119537
3-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]thiophene-2-carboxamide
CID 80642461
2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65117541
2-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-hydroxybenzamide
CID 106502082

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide (CID 106502468) is 2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide is CC1CCC(O)(CNC(=O)c2cc(O)ccc2Cl)CC1.
What is the InChIKey of 2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
The InChIKey is IAZDLLCBLJFHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-10-4-6-15(20,7-5-10)9-17-14(19)12-8-11(18)2-3-13(12)16/h2-3,8,10,18,20H,4-7,9H2,1H3,(H,17,19).
What are the key properties of 2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide has a molecular weight of 297.78 g/mol, XLogP of 2.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 106502468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).