4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide

C16H22BrNO2 — CID 65124189

IUPAC4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
SMILESCCC1CCC(O)(CNC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrNO2/c1-2-12-7-9-16(20,10-8-12)11-18-15(19)13-3-5-14(17)6-4-13/h3-6,12,20H,2,7-11H2,1H3,(H,18,19)
InChIKeyVYBVLYVPAIKNRR-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.51
Rot. Bonds4

About 4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide

4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide (PubChem CID 65124189) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
PubChem CID65124189
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
SMILESCCC1CCC(O)(CNC(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C16H22BrNO2/c1-2-12-7-9-16(20,10-8-12)11-18-15(19)13-3-5-14(17)6-4-13/h3-6,12,20H,2,7-11H2,1H3,(H,18,19)
InChIKeyVYBVLYVPAIKNRR-UHFFFAOYSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124263
4-bromo-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119615
4-bromo-N-[(1-hydroxycyclobutyl)methyl]benzamide
CID 111445424
4-bromo-2-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65123585
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluoro-4-methylbenzamide
CID 65123648
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3-fluorobenzamide
CID 65117358
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-iodobenzamide
CID 103209091
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-1H-pyrrole-2-carboxamide
CID 65124237
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124121
4-bromo-1-ethyl-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 65123856
5-amino-2-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65117743
3-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
CID 107952528

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
The IUPAC name of 4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide (CID 65124189) is 4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide.
What is the SMILES notation for 4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
The canonical SMILES for 4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide is CCC1CCC(O)(CNC(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
The InChIKey is VYBVLYVPAIKNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-2-12-7-9-16(20,10-8-12)11-18-15(19)13-3-5-14(17)6-4-13/h3-6,12,20H,2,7-11H2,1H3,(H,18,19).
What are the key properties of 4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide?
4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide has a molecular weight of 340.26 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide is sourced from PubChem (CID 65124189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).