4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide

C18H19N3O5 — CID 18139156

IUPAC4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5/c22-18(19-26-13-14-4-2-1-3-5-14)15-6-7-16(17(12-15)21(23)24)20-8-10-25-11-9-20/h1-7,12H,8-11,13H2,(H,19,22)
InChIKeyHGODNUASYRVILR-UHFFFAOYSA-N
MW357.37 g/mol
LogP2.29
Rot. Bonds6

About 4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide

4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide (PubChem CID 18139156) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is 4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide
PubChem CID18139156
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC Name4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide
SMILESO=C(NOCc1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N3O5/c22-18(19-26-13-14-4-2-1-3-5-14)15-6-7-16(17(12-15)21(23)24)20-8-10-25-11-9-20/h1-7,12H,8-11,13H2,(H,19,22)
InChIKeyHGODNUASYRVILR-UHFFFAOYSA-N
XLogP2.29
TPSA93.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-morpholin-4-yl-3-nitrobenzoate
CID 29169236
4-morpholin-4-yl-3-nitro-N-(2-nitrophenyl)benzamide
CID 4089078
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145
(3-nitrophenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate
CID 3948921
4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 2996088
N-(2-acetamidoethyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 30596526
4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide
CID 23931407
(2S)-2-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]butanoic acid
CID 100650393
(2,6-dichlorophenyl)methyl 4-morpholin-4-yl-3-nitrobenzoate
CID 7890013
N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 39709211
3-(4-benzylpiperazin-1-yl)-1-(4-morpholin-4-yl-3-nitrophenyl)propan-1-one;dihydrochloride
CID 10185910
4-[[(4-morpholin-4-yl-3-nitrobenzoyl)carbamothioylamino]methyl]benzoic acid
CID 28688208

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide?
The IUPAC name of 4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide (CID 18139156) is 4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide.
What is the SMILES notation for 4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide?
The canonical SMILES for 4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide is O=C(NOCc1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide?
The InChIKey is HGODNUASYRVILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c22-18(19-26-13-14-4-2-1-3-5-14)15-6-7-16(17(12-15)21(23)24)20-8-10-25-11-9-20/h1-7,12H,8-11,13H2,(H,19,22).
What are the key properties of 4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide?
4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide has a molecular weight of 357.37 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-3-nitro-N-phenylmethoxybenzamide is sourced from PubChem (CID 18139156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).