2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide

C21H19N3O4 — CID 7900478

IUPAC2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
SMILESO=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C21H19N3O4/c25-21(22-19-7-3-5-15-4-1-2-6-17(15)19)18-14-16(24(26)27)8-9-20(18)23-10-12-28-13-11-23/h1-9,14H,10-13H2,(H,22,25)
InChIKeyXYNXTKAFUUQLMS-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.84
Rot. Bonds4

About 2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide

2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide (PubChem CID 7900478) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
PubChem CID7900478
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide
SMILESO=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1N1CCOCC1
InChIInChI=1S/C21H19N3O4/c25-21(22-19-7-3-5-15-4-1-2-6-17(15)19)18-14-16(24(26)27)8-9-20(18)23-10-12-28-13-11-23/h1-9,14H,10-13H2,(H,22,25)
InChIKeyXYNXTKAFUUQLMS-UHFFFAOYSA-N
XLogP3.84
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.84
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

2-morpholin-4-yl-5-nitro-N-(2-nitrophenyl)benzamide
CID 3524695
N-[2-[(4-chlorobenzoyl)amino]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55750229
2-morpholin-4-yl-5-nitro-N-(2-phenoxyphenyl)benzamide
CID 5037290
N-(2,6-difluorophenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 51158852
naphthalen-1-yl 2-morpholin-4-yl-5-nitrobenzoate
CID 18075436
N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 2978884
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 55700716
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 4028000
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 17177067
N-(3-ethynylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 31036555
N-(4-chloro-2-methylphenyl)-2-morpholin-4-yl-5-nitrobenzamide
CID 7408771
5-morpholin-4-ylsulfonyl-N-naphthalen-1-yl-2-piperidin-1-ylbenzamide
CID 26087225

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide?
The IUPAC name of 2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide (CID 7900478) is 2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide.
What is the SMILES notation for 2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide?
The canonical SMILES for 2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide is O=C(Nc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide?
The InChIKey is XYNXTKAFUUQLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-21(22-19-7-3-5-15-4-1-2-6-17(15)19)18-14-16(24(26)27)8-9-20(18)23-10-12-28-13-11-23/h1-9,14H,10-13H2,(H,22,25).
What are the key properties of 2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide?
2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide has a molecular weight of 377.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-naphthalen-1-yl-5-nitrobenzamide is sourced from PubChem (CID 7900478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).