2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide

C14H13FN2O5 — CID 122144112

IUPAC2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide
SMILESO=C(NC(CCO)c1ccco1)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C14H13FN2O5/c15-11-8-9(17(20)21)3-4-10(11)14(19)16-12(5-6-18)13-2-1-7-22-13/h1-4,7-8,12,18H,5-6H2,(H,16,19)
InChIKeyUMSXSUGRADXSPG-UHFFFAOYSA-N
MW308.27 g/mol
LogP2.18
Rot. Bonds6

About 2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide

2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide (PubChem CID 122144112) has the molecular formula C14H13FN2O5 and a molecular weight of 308.27 g/mol. Its IUPAC name is 2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide
PubChem CID122144112
Molecular FormulaC14H13FN2O5
Molecular Weight308.27 g/mol
Exact Mass308.08
IUPAC Name2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide
SMILESO=C(NC(CCO)c1ccco1)c1ccc([N+](=O)[O-])cc1F
InChIInChI=1S/C14H13FN2O5/c15-11-8-9(17(20)21)3-4-10(11)14(19)16-12(5-6-18)13-2-1-7-22-13/h1-4,7-8,12,18H,5-6H2,(H,16,19)
InChIKeyUMSXSUGRADXSPG-UHFFFAOYSA-N
XLogP2.18
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.27
LogP ≤ 52.18
H-Bond Donors ≤ 52
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-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-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

N-(5-bromopentan-2-yl)-2-fluoro-4-nitrobenzamide
CID 114316520
2-fluoro-N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62631841
3-(furan-2-yl)-3-[(5-nitropyrimidin-2-yl)amino]propan-1-ol
CID 133490903
N-(1-amino-3-methylbutan-2-yl)-2-fluoro-4-nitrobenzamide
CID 65191293
N-(1-bromo-3-methylbutan-2-yl)-2-fluoro-4-nitrobenzamide
CID 114316186
2-fluoro-N-(5-hydroxypentyl)-4-nitrobenzamide
CID 107318410
2-fluoro-4-nitro-N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 71919941
N-[1-(furan-2-yl)ethyl]-2-(methylamino)-5-nitrobenzamide
CID 18116900
2,5-difluoro-N-[1-(furan-2-yl)ethyl]-4-nitrobenzamide
CID 115766373
N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-4-nitrobenzamide
CID 106183058
2-fluoro-N-(3-hydroxy-3-phenylpropyl)-4-nitrobenzamide
CID 111472014
3-[(2-fluoro-4-nitrobenzoyl)amino]-2-hydroxypropanoic acid
CID 66167285

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide?
The IUPAC name of 2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide (CID 122144112) is 2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide.
What is the SMILES notation for 2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide?
The canonical SMILES for 2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide is O=C(NC(CCO)c1ccco1)c1ccc([N+](=O)[O-])cc1F.
What is the InChIKey of 2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide?
The InChIKey is UMSXSUGRADXSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O5/c15-11-8-9(17(20)21)3-4-10(11)14(19)16-12(5-6-18)13-2-1-7-22-13/h1-4,7-8,12,18H,5-6H2,(H,16,19).
What are the key properties of 2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide?
2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide has a molecular weight of 308.27 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(furan-2-yl)-3-hydroxypropyl]-4-nitrobenzamide is sourced from PubChem (CID 122144112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).