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

C15H19ClFNO2 — CID 65119892

IUPAC4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
SMILESCC1CCC(O)(CNC(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C15H19ClFNO2/c1-10-4-6-15(20,7-5-10)9-18-14(19)12-3-2-11(16)8-13(12)17/h2-3,8,10,20H,4-7,9H2,1H3,(H,18,19)
InChIKeyMBMBRAXIJPMVAQ-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.15
Rot. Bonds3

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

4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide (PubChem CID 65119892) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
PubChem CID65119892
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
SMILESCC1CCC(O)(CNC(=O)c2ccc(Cl)cc2F)CC1
InChIInChI=1S/C15H19ClFNO2/c1-10-4-6-15(20,7-5-10)9-18-14(19)12-3-2-11(16)8-13(12)17/h2-3,8,10,20H,4-7,9H2,1H3,(H,18,19)
InChIKeyMBMBRAXIJPMVAQ-UHFFFAOYSA-N
XLogP3.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
CID 65123638
5-chloro-2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119441
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 106502468
4-bromo-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119782
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluoro-4-hydroxybenzamide
CID 107677045
3,5-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-2-iodobenzamide
CID 65119535
2,4-diamino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65117541
4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
4-amino-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117447
4-bromo-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119415
N-[[1-(bromomethyl)cyclopentyl]methyl]-4-chloro-2-fluorobenzamide
CID 113294802

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide (CID 65119892) is 4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide is CC1CCC(O)(CNC(=O)c2ccc(Cl)cc2F)CC1.
What is the InChIKey of 4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
The InChIKey is MBMBRAXIJPMVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-10-4-6-15(20,7-5-10)9-18-14(19)12-3-2-11(16)8-13(12)17/h2-3,8,10,20H,4-7,9H2,1H3,(H,18,19).
What are the key properties of 4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide?
4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide has a molecular weight of 299.77 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 65119892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).