2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide

C12H15FN2O4 — CID 107318410

IUPAC2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide
SMILESO=C(NCCCCCO)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H15FN2O4/c13-11-8-9(15(18)19)4-5-10(11)12(17)14-6-2-1-3-7-16/h4-5,8,16H,1-3,6-7H2,(H,14,17)
InChIKeyQDXHHNFWWRGPKM-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.63
Rot. Bonds7

About 2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide

2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide (PubChem CID 107318410) has the molecular formula C12H15FN2O4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide
PubChem CID107318410
Molecular FormulaC12H15FN2O4
Molecular Weight270.26 g/mol
Exact Mass270.10
IUPAC Name2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide
SMILESO=C(NCCCCCO)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C12H15FN2O4/c13-11-8-9(15(18)19)4-5-10(11)12(17)14-6-2-1-3-7-16/h4-5,8,16H,1-3,6-7H2,(H,14,17)
InChIKeyQDXHHNFWWRGPKM-UHFFFAOYSA-N
XLogP1.63
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.63
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'}

Analyze 2-fluoro-N-(5-hydroxypentyl)-4-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-chloro-N-(6-hydroxyhexyl)-4-nitrobenzamide
CID 103919226
2-fluoro-N-(3-hydroxypropyl)-5-nitrobenzamide
CID 43808767
N-(6-hydroxyhexyl)-2-iodo-5-nitrobenzamide
CID 103919166
3-fluoro-N-(5-hydroxypentyl)-5-nitrobenzamide
CID 107318892
4-bromo-2-fluoro-N-(4-hydroxybutyl)benzamide
CID 106842307
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-fluoro-4-nitrobenzamide
CID 87021338
1-[[(2-fluoro-4-nitrobenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449966
2-fluoro-N-(3-hydroxy-3-phenylpropyl)-4-nitrobenzamide
CID 111472014
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
CID 108797326
2,5-difluoro-N-(5-hydroxypentyl)-3-nitrobenzamide
CID 107317184
3-[(2-fluoro-4-nitrobenzoyl)amino]-2-hydroxypropanoic acid
CID 66167285
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-2-fluoro-4-nitrobenzamide
CID 111451339

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide?
The IUPAC name of 2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide (CID 107318410) is 2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide is O=C(NCCCCCO)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide?
The InChIKey is QDXHHNFWWRGPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4/c13-11-8-9(15(18)19)4-5-10(11)12(17)14-6-2-1-3-7-16/h4-5,8,16H,1-3,6-7H2,(H,14,17).
What are the key properties of 2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide?
2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide has a molecular weight of 270.26 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide is sourced from PubChem (CID 107318410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).