N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide

C15H20BrNO3 — CID 114314007

IUPACN-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(CBr)CCCCC2)cc1O
InChIInChI=1S/C15H20BrNO3/c1-20-13-6-5-11(9-12(13)18)14(19)17-15(10-16)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,17,19)
InChIKeyRMGZBMKQTHQFPJ-UHFFFAOYSA-N
MW342.23 g/mol
LogP3.23
Rot. Bonds4

About N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide

N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide (PubChem CID 114314007) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
PubChem CID114314007
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(CBr)CCCCC2)cc1O
InChIInChI=1S/C15H20BrNO3/c1-20-13-6-5-11(9-12(13)18)14(19)17-15(10-16)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,17,19)
InChIKeyRMGZBMKQTHQFPJ-UHFFFAOYSA-N
XLogP3.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(chloromethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide
CID 114303315
N-[1-(bromomethyl)cyclohexyl]-4-fluoro-3-methoxybenzamide
CID 114314064
N-[[1-(2-bromoethyl)cyclopropyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114758224
N-[1-(bromomethyl)cyclopentyl]-4-hydroxybenzamide
CID 114311351
N-[1-(bromomethyl)cyclopentyl]-2-hydroxy-4-methoxybenzamide
CID 114311329
N-[1-(aminomethyl)cyclopentyl]-3-bromo-4-methoxybenzamide
CID 63889365
3-bromo-N-[1-(bromomethyl)-3-methylcyclohexyl]-4-methoxybenzamide
CID 114314711
N-[1-(chloromethyl)cyclohexyl]-3-fluoro-4-methoxybenzamide
CID 114303483
3-hydroxy-4-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738245
4-bromo-N-[1-(bromomethyl)cyclohexyl]-3-chlorobenzamide
CID 113275490
N-[1-(bromomethyl)-4-methylcyclohexyl]-3-methoxy-4-methylbenzamide
CID 114315089
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-hydroxy-4-methoxybenzamide
CID 114317315

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide (CID 114314007) is N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NC2(CBr)CCCCC2)cc1O.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide?
The InChIKey is RMGZBMKQTHQFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-20-13-6-5-11(9-12(13)18)14(19)17-15(10-16)7-3-2-4-8-15/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,17,19).
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide?
N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide has a molecular weight of 342.23 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 114314007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).