2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide

C11H11F3N2O4 — CID 103800115

IUPAC2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
SMILESCN(CCC(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C11H11F3N2O4/c1-15(6-5-11(12,13)14)10(18)7-3-2-4-8(9(7)17)16(19)20/h2-4,17H,5-6H2,1H3
InChIKeyUPQGUIUALZEYHG-UHFFFAOYSA-N
MW292.21 g/mol
LogP2.32
Rot. Bonds4

About 2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide

2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 103800115) has the molecular formula C11H11F3N2O4 and a molecular weight of 292.21 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID103800115
Molecular FormulaC11H11F3N2O4
Molecular Weight292.21 g/mol
Exact Mass292.07
IUPAC Name2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide
SMILESCN(CCC(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C11H11F3N2O4/c1-15(6-5-11(12,13)14)10(18)7-3-2-4-8(9(7)17)16(19)20/h2-4,17H,5-6H2,1H3
InChIKeyUPQGUIUALZEYHG-UHFFFAOYSA-N
XLogP2.32
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 52.32
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

N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-N-methyl-3-nitrobenzamide
CID 103820481
2-hydroxy-N-methyl-3-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 103800351
ethyl 2-[(2-hydroxy-3-nitrobenzoyl)-methylamino]acetate
CID 103746415
2-hydroxy-N-methyl-3-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 103746406
2-hydroxy-N-methyl-3-nitro-N-(thiophen-3-ylmethyl)benzamide
CID 103799855
2-bromo-N-methyl-5-nitro-N-(3,3,3-trifluoropropyl)benzamide
CID 62722480
2-iodo-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 61381239
2-hydroxy-3-nitro-N-(4,4,4-trifluorobutan-2-yl)benzamide
CID 104862632
2-chloro-N-methyl-3-nitro-N-propylbenzamide
CID 112576268
N-(2-bromoethyl)-N,2-dimethyl-3-nitrobenzamide
CID 80659716
2-hydroxy-3-nitro-N,N-bis(prop-2-enyl)benzamide
CID 103800385
2-hydroxy-3-nitrobenzohydrazide
CID 11367606

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide (CID 103800115) is 2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide is CN(CCC(F)(F)F)C(=O)c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is UPQGUIUALZEYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4/c1-15(6-5-11(12,13)14)10(18)7-3-2-4-8(9(7)17)16(19)20/h2-4,17H,5-6H2,1H3.
What are the key properties of 2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide?
2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 292.21 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-3-nitro-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 103800115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).