3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide

C15H20BrNO2 — CID 114146596

IUPAC3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C15H20BrNO2/c1-10-13(3-2-4-14(10)16)15(19)17-9-11-5-7-12(18)8-6-11/h2-4,11-12,18H,5-9H2,1H3,(H,17,19)
InChIKeyZZXRMOZOJPBNPT-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.04
Rot. Bonds3

About 3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide

3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide (PubChem CID 114146596) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide
PubChem CID114146596
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide
SMILESCc1c(Br)cccc1C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C15H20BrNO2/c1-10-13(3-2-4-14(10)16)15(19)17-9-11-5-7-12(18)8-6-11/h2-4,11-12,18H,5-9H2,1H3,(H,17,19)
InChIKeyZZXRMOZOJPBNPT-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
3-bromo-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103707638
3-bromo-N-[[2-(bromomethyl)cyclohexyl]methyl]-2-methylbenzamide
CID 114317339
3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119090
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551
2-bromo-4-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106123468
3-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzamide
CID 115659844
3-bromo-2-chloro-N-(cyclobutylmethyl)benzamide
CID 103988581
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
3-hydroxy-2-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 82829222
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131
3-bromo-N-[2-(cycloheptylamino)ethyl]-2-methylbenzamide
CID 81486868

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide?
The IUPAC name of 3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide (CID 114146596) is 3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide?
The canonical SMILES for 3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide is Cc1c(Br)cccc1C(=O)NCC1CCC(O)CC1.
What is the InChIKey of 3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide?
The InChIKey is ZZXRMOZOJPBNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-10-13(3-2-4-14(10)16)15(19)17-9-11-5-7-12(18)8-6-11/h2-4,11-12,18H,5-9H2,1H3,(H,17,19).
What are the key properties of 3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide?
3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(4-hydroxycyclohexyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 114146596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).