2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide

C23H21N3O5 — CID 5037290

IUPAC2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C23H21N3O5/c27-23(24-20-8-4-5-9-22(20)31-18-6-2-1-3-7-18)19-16-17(26(28)29)10-11-21(19)25-12-14-30-15-13-25/h1-11,16H,12-15H2,(H,24,27)
InChIKeyGTFNCXSJHMYFIR-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.48
Rot. Bonds6

About 2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide

2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide (PubChem CID 5037290) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide
PubChem CID5037290
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C23H21N3O5/c27-23(24-20-8-4-5-9-22(20)31-18-6-2-1-3-7-18)19-16-17(26(28)29)10-11-21(19)25-12-14-30-15-13-25/h1-11,16H,12-15H2,(H,24,27)
InChIKeyGTFNCXSJHMYFIR-UHFFFAOYSA-N
XLogP4.48
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
CID 7900478
N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55750229
2,4-dinitro-N-(2-phenoxyphenyl)benzamide
CID 4693634
N-[4-[(2-chlorobenzoyl)amino]-3-methoxyphenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 23101086
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 2978884
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55700716
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771
2-fluoro-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220830
2-methyl-N-(2-morpholin-4-yl-4-nitrophenyl)benzamide
CID 17220821
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 17177067

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of 2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide (CID 5037290) is 2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for 2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for 2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide is O=C(Nc1ccccc1Oc1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide?
The InChIKey is GTFNCXSJHMYFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c27-23(24-20-8-4-5-9-22(20)31-18-6-2-1-3-7-18)19-16-17(26(28)29)10-11-21(19)25-12-14-30-15-13-25/h1-11,16H,12-15H2,(H,24,27).
What are the key properties of 2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide?
2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide has a molecular weight of 419.44 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 5037290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).