N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide

C14H18N2O4 — CID 103280585

IUPACN-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)NCC2CCC(O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O4/c1-9-3-2-4-12(13(9)16(19)20)14(18)15-8-10-5-6-11(17)7-10/h2-4,10-11,17H,5-8H2,1H3,(H,15,18)
InChIKeyFAVSZYQEKSRLBM-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.79
Rot. Bonds4

About N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide

N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide (PubChem CID 103280585) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide
PubChem CID103280585
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide
SMILESCc1cccc(C(=O)NCC2CCC(O)C2)c1[N+](=O)[O-]
InChIInChI=1S/C14H18N2O4/c1-9-3-2-4-12(13(9)16(19)20)14(18)15-8-10-5-6-11(17)7-10/h2-4,10-11,17H,5-8H2,1H3,(H,15,18)
InChIKeyFAVSZYQEKSRLBM-UHFFFAOYSA-N
XLogP1.79
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.79
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

3-chloro-N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide
CID 103280755
N-[(3-hydroxycyclopentyl)methyl]-2-nitrobenzamide
CID 103280198
3-methyl-2-nitro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62540214
N-[(3-hydroxycyclohexyl)methyl]-2-nitrobenzamide
CID 103691205
N-[(4-hydroxycyclohexyl)methyl]-2,3-dimethylbenzamide
CID 106123854
N-[[2-(bromomethyl)cyclopentyl]methyl]-3-methyl-2-nitrobenzamide
CID 114317241
2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 103279879
3-methyl-2-nitro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 18284036
3-methyl-N-[2-(methylamino)propyl]-2-nitrobenzamide;hydrochloride
CID 120828085
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methyl-2-nitrobenzamide
CID 7924835
N-(2-chloro-3-methylbutyl)-3-methyl-2-nitrobenzamide
CID 113492952
N-cyclopentyl-3-methyl-2-nitrobenzamide
CID 890353

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide (CID 103280585) is N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide is Cc1cccc(C(=O)NCC2CCC(O)C2)c1[N+](=O)[O-].
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide?
The InChIKey is FAVSZYQEKSRLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-3-2-4-12(13(9)16(19)20)14(18)15-8-10-5-6-11(17)7-10/h2-4,10-11,17H,5-8H2,1H3,(H,15,18).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide?
N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide has a molecular weight of 278.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-3-methyl-2-nitrobenzamide is sourced from PubChem (CID 103280585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).