3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide

C15H20BrNO2 — CID 65124230

IUPAC3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
SMILESCC1CCCC(O)(CNC(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C15H20BrNO2/c1-11-4-3-7-15(19,9-11)10-17-14(18)12-5-2-6-13(16)8-12/h2,5-6,8,11,19H,3-4,7,9-10H2,1H3,(H,17,18)
InChIKeyRVNLUHWKWWPYEM-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.12
Rot. Bonds3

About 3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide

3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide (PubChem CID 65124230) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
PubChem CID65124230
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
SMILESCC1CCCC(O)(CNC(=O)c2cccc(Br)c2)C1
InChIInChI=1S/C15H20BrNO2/c1-11-4-3-7-15(19,9-11)10-17-14(18)12-5-2-6-13(16)8-12/h2,5-6,8,11,19H,3-4,7,9-10H2,1H3,(H,17,18)
InChIKeyRVNLUHWKWWPYEM-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(methoxymethyl)benzamide
CID 65124255
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide
CID 65124144
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
4-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbenzamide
CID 103957333
3-bromo-N-[1-(bromomethyl)-3-methylcyclohexyl]benzamide
CID 113275678
6-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 103916914
4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124137
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 65124108
5-bromo-2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 65118505
3-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65117353
4-amino-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methoxybenzamide
CID 104783013
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dimethylbenzamide
CID 65124003

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide (CID 65124230) is 3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide is CC1CCCC(O)(CNC(=O)c2cccc(Br)c2)C1.
What is the InChIKey of 3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide?
The InChIKey is RVNLUHWKWWPYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-11-4-3-7-15(19,9-11)10-17-14(18)12-5-2-6-13(16)8-12/h2,5-6,8,11,19H,3-4,7,9-10H2,1H3,(H,17,18).
What are the key properties of 3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide?
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide has a molecular weight of 326.23 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide is sourced from PubChem (CID 65124230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).