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

C19H20FN3O4 — CID 18589031

IUPACN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H20FN3O4/c20-16-6-4-14(5-7-16)18(22-8-10-27-11-9-22)13-21-19(24)15-2-1-3-17(12-15)23(25)26/h1-7,12,18H,8-11,13H2,(H,21,24)
InChIKeyKRUFHHHMHPBVPB-UHFFFAOYSA-N
MW373.38 g/mol
LogP2.54
Rot. Bonds6

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

N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide (PubChem CID 18589031) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
PubChem CID18589031
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
SMILESO=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H20FN3O4/c20-16-6-4-14(5-7-16)18(22-8-10-27-11-9-22)13-21-19(24)15-2-1-3-17(12-15)23(25)26/h1-7,12,18H,8-11,13H2,(H,21,24)
InChIKeyKRUFHHHMHPBVPB-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-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 30834711
N-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 7217179
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 30878238
4-(cyclopropylamino)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 31085832
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-nitrobenzamide
CID 110888918
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]quinoline-6-carboxamide
CID 4249333
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 39969594
4-amino-N-(2-morpholin-4-yl-2-phenylethyl)-3-nitrobenzamide
CID 46578636
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-nitrophenyl)acetamide
CID 31205189
4-bromo-N-(2-morpholin-4-yl-2-phenylethyl)-3-nitrobenzamide
CID 55574889
3-nitro-N-(2-pyrrolidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931514
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide (CID 18589031) is N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide is O=C(NCC(c1ccc(F)cc1)N1CCOCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide?
The InChIKey is KRUFHHHMHPBVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c20-16-6-4-14(5-7-16)18(22-8-10-27-11-9-22)13-21-19(24)15-2-1-3-17(12-15)23(25)26/h1-7,12,18H,8-11,13H2,(H,21,24).
What are the key properties of N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide?
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-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-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide is sourced from PubChem (CID 18589031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).