N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide

C15H20N2O4 — CID 115362547

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)NCC2(CO)CCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O4/c1-11-12(5-4-6-13(11)17(20)21)14(19)16-9-15(10-18)7-2-3-8-15/h4-6,18H,2-3,7-10H2,1H3,(H,16,19)
InChIKeyHDEPBRRZQHMEOR-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.19
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide (PubChem CID 115362547) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide
PubChem CID115362547
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)NCC2(CO)CCCC2)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H20N2O4/c1-11-12(5-4-6-13(11)17(20)21)14(19)16-9-15(10-18)7-2-3-8-15/h4-6,18H,2-3,7-10H2,1H3,(H,16,19)
InChIKeyHDEPBRRZQHMEOR-UHFFFAOYSA-N
XLogP2.19
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[(2-methyl-3-nitrobenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81369460
2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
2-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-nitrobenzamide
CID 43005191
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide
CID 43067806
2-hydroxy-3-[(2-methyl-3-nitrobenzoyl)amino]propanoic acid
CID 66167701
N-hydroxy-2-methyl-3-nitrobenzamide
CID 24690706
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethoxybenzamide
CID 115362436
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749
N-[2-(ethylamino)-2-oxoethyl]-2-methyl-3-nitrobenzamide
CID 18145715
N-(3-methoxypropyl)-2-methyl-3-nitrobenzamide
CID 2223736
2-[[1-(hydroxymethyl)cyclohexyl]methylcarbamoyl]benzoic acid
CID 103965490

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide (CID 115362547) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide is Cc1c(C(=O)NCC2(CO)CCCC2)cccc1[N+](=O)[O-].
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide?
The InChIKey is HDEPBRRZQHMEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11-12(5-4-6-13(11)17(20)21)14(19)16-9-15(10-18)7-2-3-8-15/h4-6,18H,2-3,7-10H2,1H3,(H,16,19).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide has a molecular weight of 292.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 115362547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).