5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide

C13H16N2O4 — CID 102741846

IUPAC5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
SMILESCC1CC1CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H16N2O4/c1-8-5-9(8)7-14(2)13(17)11-6-10(16)3-4-12(11)15(18)19/h3-4,6,8-9,16H,5,7H2,1-2H3
InChIKeyLBYMCXCIFACSRG-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.03
Rot. Bonds4

About 5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide

5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide (PubChem CID 102741846) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide.

Molecular Properties

Compound Name5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
PubChem CID102741846
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
SMILESCC1CC1CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H16N2O4/c1-8-5-9(8)7-14(2)13(17)11-6-10(16)3-4-12(11)15(18)19/h3-4,6,8-9,16H,5,7H2,1-2H3
InChIKeyLBYMCXCIFACSRG-UHFFFAOYSA-N
XLogP2.03
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
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

5-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide
CID 63863167
4-hydroxy-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 107671595
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]-5-nitrobenzamide
CID 63865891
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 63861542
N,N-diethyl-5-hydroxy-2-nitrobenzamide
CID 102740327
5-hydroxy-N-methyl-2-nitro-N-pent-4-enylbenzamide
CID 107076611
5-hydroxy-N-methyl-N-(2-methylbutan-2-yl)-2-nitrobenzamide
CID 102741853
(5-hydroxy-2-nitrophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107076691
N-[(5-bromothiophen-3-yl)methyl]-5-hydroxy-N-methyl-2-nitrobenzamide
CID 102741569
methyl 5-hydroxy-2-nitrobenzoate
CID 12922678
5-hydroxy-N',N'-dimethyl-2-nitrobenzohydrazide
CID 107076386
2-[methyl-(5-methyl-2-nitrobenzoyl)amino]acetic acid
CID 65461207

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide?
The IUPAC name of 5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide (CID 102741846) is 5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide.
What is the SMILES notation for 5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide?
The canonical SMILES for 5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide is CC1CC1CN(C)C(=O)c1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide?
The InChIKey is LBYMCXCIFACSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-5-9(8)7-14(2)13(17)11-6-10(16)3-4-12(11)15(18)19/h3-4,6,8-9,16H,5,7H2,1-2H3.
What are the key properties of 5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide?
5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide has a molecular weight of 264.28 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-nitrobenzamide is sourced from PubChem (CID 102741846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).