N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide

C17H15F2N3O4 — CID 9210247

IUPACN-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C17H15F2N3O4/c18-14-3-1-11(9-15(14)19)20-17(23)13-10-12(22(24)25)2-4-16(13)21-5-7-26-8-6-21/h1-4,9-10H,5-8H2,(H,20,23)
InChIKeyKSFZLLHARAMBMK-UHFFFAOYSA-N
MW363.32 g/mol
LogP2.96
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide

N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide (PubChem CID 9210247) has the molecular formula C17H15F2N3O4 and a molecular weight of 363.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
PubChem CID9210247
Molecular FormulaC17H15F2N3O4
Molecular Weight363.32 g/mol
Exact Mass363.10
IUPAC NameN-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C17H15F2N3O4/c18-14-3-1-11(9-15(14)19)20-17(23)13-10-12(22(24)25)2-4-16(13)21-5-7-26-8-6-21/h1-4,9-10H,5-8H2,(H,20,23)
InChIKeyKSFZLLHARAMBMK-UHFFFAOYSA-N
XLogP2.96
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-morpholin-4-yl-5-nitrobenzoate
CID 18075404
N-(3-chloro-4-piperidin-1-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22781776
N-(4-bromo-3-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 22777311
N-[(3-chloro-4-fluorophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 22780956
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-sulfamoylbenzamide
CID 41452357
N-(3-chloro-4-fluorophenyl)-5-nitro-2-pyrrolidin-1-ylbenzamide
CID 9208214
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771
N-(3-ethynylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 31036555
N-[3-chloro-4-(4-methylpiperidin-1-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23095276
N-[3-(methylcarbamoyl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 18084314
N-(4-butan-2-ylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 19629642

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide (CID 9210247) is N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide is O=C(Nc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide?
The InChIKey is KSFZLLHARAMBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O4/c18-14-3-1-11(9-15(14)19)20-17(23)13-10-12(22(24)25)2-4-16(13)21-5-7-26-8-6-21/h1-4,9-10H,5-8H2,(H,20,23).
What are the key properties of N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide?
N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide has a molecular weight of 363.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide is sourced from PubChem (CID 9210247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).