2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide

C10H11FN2O4 — CID 43808767

IUPAC2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide
SMILESO=C(NCCCO)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H11FN2O4/c11-9-3-2-7(13(16)17)6-8(9)10(15)12-4-1-5-14/h2-3,6,14H,1,4-5H2,(H,12,15)
InChIKeyBKGSZNGFWLJWOD-UHFFFAOYSA-N
MW242.21 g/mol
LogP0.85
Rot. Bonds5

About 2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide

2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide (PubChem CID 43808767) has the molecular formula C10H11FN2O4 and a molecular weight of 242.21 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide
PubChem CID43808767
Molecular FormulaC10H11FN2O4
Molecular Weight242.21 g/mol
Exact Mass242.07
IUPAC Name2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide
SMILESO=C(NCCCO)c1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C10H11FN2O4/c11-9-3-2-7(13(16)17)6-8(9)10(15)12-4-1-5-14/h2-3,6,14H,1,4-5H2,(H,12,15)
InChIKeyBKGSZNGFWLJWOD-UHFFFAOYSA-N
XLogP0.85
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.21
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide
CID 107318410
2-fluoro-N-(2-methoxyethyl)-5-nitrobenzamide
CID 43377388
N-(3-cyclopentylpropyl)-2-fluoro-5-nitrobenzamide
CID 106013508
2-fluoro-5-nitro-N-(3-phenylsulfanylpropyl)benzamide
CID 23152090
ethyl 4-[(2-fluoro-5-nitrobenzoyl)amino]butanoate
CID 64576557
N-(6-hydroxyhexyl)-2-iodo-5-nitrobenzamide
CID 103919166
2-fluoro-5-nitro-N-(2-pyridin-4-ylethyl)benzamide
CID 60902986
2-fluoro-N-[(2S)-1-[[(2S)-1-(4-hydroxybutylamino)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-5-nitrobenzamide
CID 25259133
2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-nitrobenzamide
CID 65107582
2-fluoro-N-(3-hydroxypropyl)-5-sulfanylbenzamide
CID 107028407
5-amino-2-fluoro-N-(3-hydroxypropyl)benzamide
CID 43510918
2-chloro-N-[3-[(2-chloro-5-nitrobenzoyl)amino]propyl]-5-nitrobenzamide
CID 4119729

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide?
The IUPAC name of 2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide (CID 43808767) is 2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide is O=C(NCCCO)c1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide?
The InChIKey is BKGSZNGFWLJWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4/c11-9-3-2-7(13(16)17)6-8(9)10(15)12-4-1-5-14/h2-3,6,14H,1,4-5H2,(H,12,15).
What are the key properties of 2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide?
2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide has a molecular weight of 242.21 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide is sourced from PubChem (CID 43808767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).