3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide

C10H11FN2O4 — CID 55103599

IUPAC3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide
SMILESCC(O)CNC(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C10H11FN2O4/c1-6(14)5-12-10(15)7-2-3-9(13(16)17)8(11)4-7/h2-4,6,14H,5H2,1H3,(H,12,15)
InChIKeyINOOJVPMGMJCGH-UHFFFAOYSA-N
MW242.21 g/mol
LogP0.84
Rot. Bonds4

About 3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide

3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide (PubChem CID 55103599) has the molecular formula C10H11FN2O4 and a molecular weight of 242.21 g/mol. Its IUPAC name is 3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide
PubChem CID55103599
Molecular FormulaC10H11FN2O4
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide
SMILESCC(O)CNC(=O)c1ccc([N+](=O)[O-])c(F)c1
InChIInChI=1S/C10H11FN2O4/c1-6(14)5-12-10(15)7-2-3-9(13(16)17)8(11)4-7/h2-4,6,14H,5H2,1H3,(H,12,15)
InChIKeyINOOJVPMGMJCGH-UHFFFAOYSA-N
XLogP0.84
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 50.84
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-[(3-fluoro-4-nitrobenzoyl)amino]-2-hydroxypropanoic acid
CID 66167058
N-[(2S)-2-hydroxypropyl]-3-methyl-4-nitrobenzamide
CID 83030965
N-[(2R)-2-hydroxypropyl]-4-methylsulfanyl-3-nitrobenzamide
CID 83032433
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
N-[(2R)-2-hydroxypropyl]-4-methoxy-3-nitrobenzamide
CID 83031412
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
3-fluoro-4-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzamide
CID 79359617
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzamide
CID 65031376
N-benzyl-3-fluoro-4-nitrobenzamide
CID 62682905
N-(3,3-dimethylbutan-2-yl)-3-fluoro-4-nitrobenzamide
CID 113235175
ethyl 2-[(3-fluoro-4-nitrobenzoyl)amino]acetate
CID 62680737
N-(2,3-dihydroxy-2-methylpropyl)-3-fluoro-4-nitrobenzamide
CID 66168183

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide?
The IUPAC name of 3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide (CID 55103599) is 3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide.
What is the SMILES notation for 3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide?
The canonical SMILES for 3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide is CC(O)CNC(=O)c1ccc([N+](=O)[O-])c(F)c1.
What is the InChIKey of 3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide?
The InChIKey is INOOJVPMGMJCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4/c1-6(14)5-12-10(15)7-2-3-9(13(16)17)8(11)4-7/h2-4,6,14H,5H2,1H3,(H,12,15).
What are the key properties of 3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide?
3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide has a molecular weight of 242.21 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide is sourced from PubChem (CID 55103599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).