N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide

C18H18N4O4 — CID 6073510

IUPACN-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H18N4O4/c23-18(15-2-1-3-17(12-15)22(24)25)20-19-13-14-4-6-16(7-5-14)21-8-10-26-11-9-21/h1-7,12-13H,8-11H2,(H,20,23)/b19-13-
InChIKeyHJRWDFZGDCBTER-UYRXBGFRSA-N
MW354.37 g/mol
LogP2.20
Rot. Bonds5

About N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide

N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide (PubChem CID 6073510) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide
PubChem CID6073510
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H18N4O4/c23-18(15-2-1-3-17(12-15)22(24)25)20-19-13-14-4-6-16(7-5-14)21-8-10-26-11-9-21/h1-7,12-13H,8-11H2,(H,20,23)/b19-13-
InChIKeyHJRWDFZGDCBTER-UYRXBGFRSA-N
XLogP2.20
TPSA97.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 6143229
3-morpholin-4-ylsulfonyl-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 2588912
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-3-nitrobenzamide
CID 6865590
3-nitro-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]benzamide
CID 5406628
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-nitrobenzamide
CID 135504453
N-(1,3-benzodioxol-5-ylmethylideneamino)-3-nitrobenzamide
CID 590072
N-[(E)-(4-hydroxyphenyl)methylideneamino]-4-morpholin-4-ylbenzamide
CID 135932618
4-(morpholin-4-ylmethyl)-N-[(3-nitrophenyl)methylideneamino]benzamide
CID 3665630
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-nitrobenzamide
CID 136712209
N-[4-[[(4-fluorophenyl)methylideneamino]carbamoyl]phenyl]-3-nitrobenzamide
CID 171135939
N-[(4-morpholin-4-ylphenyl)methylideneamino]-4-nitroaniline
CID 4061939
N-morpholin-4-yl-3-nitrobenzamide
CID 871425

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide?
The IUPAC name of N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide (CID 6073510) is N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide?
The canonical SMILES for N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide is O=C(N/N=C\c1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide?
The InChIKey is HJRWDFZGDCBTER-UYRXBGFRSA-N. The full InChI is InChI=1S/C18H18N4O4/c23-18(15-2-1-3-17(12-15)22(24)25)20-19-13-14-4-6-16(7-5-14)21-8-10-26-11-9-21/h1-7,12-13H,8-11H2,(H,20,23)/b19-13-.
What are the key properties of N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide?
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide has a molecular weight of 354.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-nitrobenzamide is sourced from PubChem (CID 6073510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).