N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide

C15H20BrNO2 — CID 82830831

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC1(CBr)CCCC1
InChIInChI=1S/C15H20BrNO2/c1-11-12(5-4-6-13(11)18)14(19)17-10-15(9-16)7-2-3-8-15/h4-6,18H,2-3,7-10H2,1H3,(H,17,19)
InChIKeyHRABYAALFFZXPB-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.39
Rot. Bonds4

About N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide

N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide (PubChem CID 82830831) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
PubChem CID82830831
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)NCC1(CBr)CCCC1
InChIInChI=1S/C15H20BrNO2/c1-11-12(5-4-6-13(11)18)14(19)17-10-15(9-16)7-2-3-8-15/h4-6,18H,2-3,7-10H2,1H3,(H,17,19)
InChIKeyHRABYAALFFZXPB-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(bromomethyl)cyclopentyl]methyl]-2,3-dihydroxybenzamide
CID 114345326
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-hydroxy-2-methylbenzamide
CID 103969522
N-[[1-(bromomethyl)cyclopropyl]methyl]-2,3-dihydroxybenzamide
CID 114345330
3-hydroxy-2-methyl-N-[(1-propylcyclopropyl)methyl]benzamide
CID 103873764
3-hydroxy-2-methyl-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103873632
2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide
CID 115364185
N-[[1-(bromomethyl)cyclopentyl]methyl]quinoxaline-5-carboxamide
CID 104615776
N-[[1-(bromomethyl)cyclohexyl]methyl]-2,5-dihydroxybenzamide
CID 107726103
N-[[1-(bromomethyl)cyclopentyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
CID 113439554
N-[[1-(bromomethyl)cyclohexyl]methyl]-3,6-dimethylpyridazine-4-carboxamide
CID 104672795
N-[[1-(chloromethyl)cyclohexyl]methyl]-2,3-dimethylbenzamide
CID 103969399
N-[[1-(bromomethyl)cyclopentyl]methyl]-2-hydroxy-4-methoxybenzamide
CID 115364295

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide (CID 82830831) is N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide is Cc1c(O)cccc1C(=O)NCC1(CBr)CCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide?
The InChIKey is HRABYAALFFZXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-11-12(5-4-6-13(11)18)14(19)17-10-15(9-16)7-2-3-8-15/h4-6,18H,2-3,7-10H2,1H3,(H,17,19).
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide has a molecular weight of 326.23 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82830831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).