4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide

C19H20N4O4 — CID 4925093

IUPAC4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)C(C)C)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H20N4O4/c1-12(2)18(24)20-16-9-7-14(8-10-16)19(25)22-21-13(3)15-5-4-6-17(11-15)23(26)27/h4-12H,1-3H3,(H,20,24)(H,22,25)
InChIKeyYXCFKGXQGNFKPM-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.34
Rot. Bonds6

About 4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide

4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide (PubChem CID 4925093) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
PubChem CID4925093
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)C(C)C)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C19H20N4O4/c1-12(2)18(24)20-16-9-7-14(8-10-16)19(25)22-21-13(3)15-5-4-6-17(11-15)23(26)27/h4-12H,1-3H3,(H,20,24)(H,22,25)
InChIKeyYXCFKGXQGNFKPM-UHFFFAOYSA-N
XLogP3.34
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
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

3-nitro-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 2790127
4-bromo-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 6067087
4-bromo-N-[(E)-1-(3-nitrophenyl)ethylideneamino]benzamide
CID 7350323
3-nitro-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 4148309
3-nitro-N-[(Z)-1-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]benzamide
CID 6285888
N-[(E)-1-(3-nitrophenyl)ethylideneamino]pyridine-4-carboxamide
CID 7124405
N-[1-(4-tert-butylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3383793
N-[1-(4-fluorophenyl)ethylideneamino]-3-nitrobenzamide
CID 3353114
N-[1-(3-methylphenyl)ethylideneamino]-3-nitrobenzamide
CID 3472309
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-nitrobenzamide
CID 6005779
N,N'-bis[(Z)-1-(3-nitrophenyl)ethylideneamino]oxamide
CID 6310047
3-nitro-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 1070769

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide?
The IUPAC name of 4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide (CID 4925093) is 4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide is CC(=NNC(=O)c1ccc(NC(=O)C(C)C)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide?
The InChIKey is YXCFKGXQGNFKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-12(2)18(24)20-16-9-7-14(8-10-16)19(25)22-21-13(3)15-5-4-6-17(11-15)23(26)27/h4-12H,1-3H3,(H,20,24)(H,22,25).
What are the key properties of 4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide?
4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide has a molecular weight of 368.39 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide is sourced from PubChem (CID 4925093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).