N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide

C19H20FN3O4 — CID 39709211

IUPACN-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(NCCc1ccccc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H20FN3O4/c20-16-4-2-1-3-14(16)7-8-21-19(24)15-5-6-17(18(13-15)23(25)26)22-9-11-27-12-10-22/h1-6,13H,7-12H2,(H,21,24)
InChIKeyFGAXVVSBEMQMAS-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.54
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide

N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 39709211) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID39709211
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(NCCc1ccccc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H20FN3O4/c20-16-4-2-1-3-14(16)7-8-21-19(24)15-5-6-17(18(13-15)23(25)26)22-9-11-27-12-10-22/h1-6,13H,7-12H2,(H,21,24)
InChIKeyFGAXVVSBEMQMAS-UHFFFAOYSA-N
XLogP2.54
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.54
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'}

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Related Compounds

N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 30596526
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
N-[2-(2-fluorophenyl)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide
CID 9490552
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 2930417
3-nitro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide
CID 8893935
N-[3-(diethylamino)propyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 110839509
4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
CID 4089078
4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide
CID 18139156
4-morpholin-4-yl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378817
4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 2996088
3-nitro-N-(3-phenylpropyl)-4-pyrrolidin-1-ylbenzamide
CID 27647096
4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide
CID 23931407

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide (CID 39709211) is N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide is O=C(NCCc1ccccc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is FGAXVVSBEMQMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c20-16-4-2-1-3-14(16)7-8-21-19(24)15-5-6-17(18(13-15)23(25)26)22-9-11-27-12-10-22/h1-6,13H,7-12H2,(H,21,24).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide?
N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 373.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 39709211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).