4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide

C16H22BrNO2 — CID 65119615

IUPAC4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrNO2/c1-15(2)7-9-16(20,10-8-15)11-18-14(19)12-3-5-13(17)6-4-12/h3-6,20H,7-11H2,1-2H3,(H,18,19)
InChIKeyUXBWHFZSBBRCIK-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.51
Rot. Bonds3

About 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide

4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide (PubChem CID 65119615) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
PubChem CID65119615
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
SMILESCC1(C)CCC(O)(CNC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrNO2/c1-15(2)7-9-16(20,10-8-15)11-18-14(19)12-3-5-13(17)6-4-12/h3-6,20H,7-11H2,1-2H3,(H,18,19)
InChIKeyUXBWHFZSBBRCIK-UHFFFAOYSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
4-(bromomethyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 102851764
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124189
3-bromo-4-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 107952526
3-amino-4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117591
3,4-difluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119123
4-bromo-2-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119415
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]thiophene-3-carboxamide
CID 65118946
4-amino-3-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65118030
5-chloro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]furan-2-carboxamide
CID 65119319
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 65119087
4-bromo-N-[[1-(methylaminomethyl)cyclopropyl]methyl]benzamide
CID 115267378

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
The IUPAC name of 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide (CID 65119615) is 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
The canonical SMILES for 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide is CC1(C)CCC(O)(CNC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
The InChIKey is UXBWHFZSBBRCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-15(2)7-9-16(20,10-8-15)11-18-14(19)12-3-5-13(17)6-4-12/h3-6,20H,7-11H2,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide?
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide has a molecular weight of 340.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 65119615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).