2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide

C17H16FN3O4 — CID 17220830

IUPAC2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccccc1F
InChIInChI=1S/C17H16FN3O4/c18-14-4-2-1-3-13(14)17(22)19-15-6-5-12(21(23)24)11-16(15)20-7-9-25-10-8-20/h1-6,11H,7-10H2,(H,19,22)
InChIKeyOVEDOLYQJNSZNF-UHFFFAOYSA-N
MW345.33 g/mol
LogP2.82
Rot. Bonds4

About 2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide

2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide (PubChem CID 17220830) has the molecular formula C17H16FN3O4 and a molecular weight of 345.33 g/mol. Its IUPAC name is 2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
PubChem CID17220830
Molecular FormulaC17H16FN3O4
Molecular Weight345.33 g/mol
Exact Mass345.11
IUPAC Name2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccccc1F
InChIInChI=1S/C17H16FN3O4/c18-14-4-2-1-3-13(14)17(22)19-15-6-5-12(21(23)24)11-16(15)20-7-9-25-10-8-20/h1-6,11H,7-10H2,(H,19,22)
InChIKeyOVEDOLYQJNSZNF-UHFFFAOYSA-N
XLogP2.82
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 52.82
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-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide 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-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220821
N-(2-morpholin-4-yl-4-nitrophenyl)-4-nitrobenzamide
CID 17220893
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
4-chloro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220839
2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
3-[(2-fluorobenzoyl)amino]-4-morpholin-4-ylbenzoic acid
CID 53052916
N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55750229
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478
N-(2-fluorophenyl)-2-[(2-morpholin-4-ylacetyl)amino]-5-nitrobenzamide
CID 2943819
4-methoxy-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220849
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 9210247
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
The IUPAC name of 2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide (CID 17220830) is 2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide is O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
The InChIKey is OVEDOLYQJNSZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4/c18-14-4-2-1-3-13(14)17(22)19-15-6-5-12(21(23)24)11-16(15)20-7-9-25-10-8-20/h1-6,11H,7-10H2,(H,19,22).
What are the key properties of 2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide?
2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide has a molecular weight of 345.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide is sourced from PubChem (CID 17220830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).