N-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide

C24H21N3O4 — CID 4277714

IUPACN-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(N=C(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H21N3O4/c28-24(25-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19)20-11-12-21(22(17-20)27(29)30)26-13-15-31-16-14-26/h1-12,17H,13-16H2
InChIKeyHDJUPUBNRWEBKU-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.11
Rot. Bonds5

About N-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide

N-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide (PubChem CID 4277714) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide.

Molecular Properties

Compound NameN-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide
PubChem CID4277714
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide
SMILESO=C(N=C(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H21N3O4/c28-24(25-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19)20-11-12-21(22(17-20)27(29)30)26-13-15-31-16-14-26/h1-12,17H,13-16H2
InChIKeyHDJUPUBNRWEBKU-UHFFFAOYSA-N
XLogP4.11
TPSA85.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
CID 4089078
N-ethyl-4-morpholin-4-yl-3-nitro-N-phenylbenzamide
CID 2959730
4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide
CID 18139156
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate
CID 29169236
N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide
CID 31288535
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide
CID 23931407
3-(4-benzylpiperazin-1-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)propan-1-one;dihydrochloride
CID 10185910
[4-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-3-nitrophenyl]-phenylmethanone
CID 47087227
(1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone
CID 51194340
4-hydroxy-3-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoic acid
CID 108730214
(4-chlorophenyl) 4-morpholin-4-yl-3-nitrobenzoate
CID 4812655

Frequently Asked Questions

What is the IUPAC name of N-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide?
The IUPAC name of N-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide (CID 4277714) is N-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide.
What is the SMILES notation for N-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide?
The canonical SMILES for N-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide is O=C(N=C(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of N-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide?
The InChIKey is HDJUPUBNRWEBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c28-24(25-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19)20-11-12-21(22(17-20)27(29)30)26-13-15-31-16-14-26/h1-12,17H,13-16H2.
What are the key properties of N-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide?
N-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide has a molecular weight of 415.45 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylidene-4-morpholin-4-yl-3-nitrobenzamide is sourced from PubChem (CID 4277714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).