2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide

C12H14F2N2O5 — CID 107121985

IUPAC2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide
SMILESCOCC(O)CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C12H14F2N2O5/c1-15(5-8(17)6-21-2)12(18)9-3-7(13)4-10(11(9)14)16(19)20/h3-4,8,17H,5-6H2,1-2H3
InChIKeyHRSDTDRNONZLTL-UHFFFAOYSA-N
MW304.25 g/mol
LogP0.95
Rot. Bonds6

About 2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide

2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide (PubChem CID 107121985) has the molecular formula C12H14F2N2O5 and a molecular weight of 304.25 g/mol. Its IUPAC name is 2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide
PubChem CID107121985
Molecular FormulaC12H14F2N2O5
Molecular Weight304.25 g/mol
Exact Mass304.09
IUPAC Name2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide
SMILESCOCC(O)CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1F
InChIInChI=1S/C12H14F2N2O5/c1-15(5-8(17)6-21-2)12(18)9-3-7(13)4-10(11(9)14)16(19)20/h3-4,8,17H,5-6H2,1-2H3
InChIKeyHRSDTDRNONZLTL-UHFFFAOYSA-N
XLogP0.95
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.25
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-3-nitrobenzamide
CID 107122103
N-(2-cyanopropyl)-2,5-difluoro-N-methyl-3-nitrobenzamide
CID 107121890
N-(2-hydroxy-3-methoxypropyl)-N,5-dimethyl-2-nitrobenzamide
CID 65462637
2,5-difluoro-N-methyl-3-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 107121843
2,5-difluoro-N-methyl-3-nitro-N-pentan-2-ylbenzamide
CID 107121826
2-methoxyethyl 2,5-difluoro-3-nitrobenzoate
CID 107123604
2,5-difluoro-N-methyl-N-(2-methylbutan-2-yl)-3-nitrobenzamide
CID 107122086
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103863065
2,5-difluoro-N-(1-methoxypentan-2-yl)-3-nitrobenzamide
CID 107122109
2,5-difluoro-N-methyl-3-nitro-N-pent-4-enylbenzamide
CID 107122329
2,5-difluoro-N-methyl-3-nitro-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 107121992
2-amino-3-chloro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-5-nitrobenzamide
CID 107200395

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide?
The IUPAC name of 2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide (CID 107121985) is 2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide.
What is the SMILES notation for 2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide?
The canonical SMILES for 2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide is COCC(O)CN(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1F.
What is the InChIKey of 2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide?
The InChIKey is HRSDTDRNONZLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O5/c1-15(5-8(17)6-21-2)12(18)9-3-7(13)4-10(11(9)14)16(19)20/h3-4,8,17H,5-6H2,1-2H3.
What are the key properties of 2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide?
2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide has a molecular weight of 304.25 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(2-hydroxy-3-methoxypropyl)-N-methyl-3-nitrobenzamide is sourced from PubChem (CID 107121985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).