2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide

C17H15N3O4 — CID 4584749

IUPAC2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide
SMILESCOc1ccccc1C(=O)NN=CC=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15N3O4/c1-24-16-7-3-2-6-15(16)17(21)19-18-12-4-5-13-8-10-14(11-9-13)20(22)23/h2-12H,1H3,(H,19,21)
InChIKeyRXJNMCOOYXRNOC-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.03
Rot. Bonds6

About 2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide

2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide (PubChem CID 4584749) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide
PubChem CID4584749
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide
SMILESCOc1ccccc1C(=O)NN=CC=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15N3O4/c1-24-16-7-3-2-6-15(16)17(21)19-18-12-4-5-13-8-10-14(11-9-13)20(22)23/h2-12H,1H3,(H,19,21)
InChIKeyRXJNMCOOYXRNOC-UHFFFAOYSA-N
XLogP3.03
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
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-nitro-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]benzamide
CID 92529886
2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6861689
(E)-1-(2-methoxyphenyl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 19566928
N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4-nitrobenzamide
CID 6798224
N-[3-(4-methoxyphenyl)prop-2-enylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 3394725
2-hydroxy-N-[(E)-[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]-2,2-diphenylacetamide
CID 5338017
N-[(E)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 110505855
N-(cinnamylideneamino)-3,4-dimethoxybenzamide
CID 6824789
2-methoxy-N-[(5-nitrofuran-2-yl)methylideneamino]benzamide
CID 3612541
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 771719
N-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide
CID 6817822

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide?
The IUPAC name of 2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide (CID 4584749) is 2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide?
The canonical SMILES for 2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide is COc1ccccc1C(=O)NN=CC=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide?
The InChIKey is RXJNMCOOYXRNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-24-16-7-3-2-6-15(16)17(21)19-18-12-4-5-13-8-10-14(11-9-13)20(22)23/h2-12H,1H3,(H,19,21).
What are the key properties of 2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide?
2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide has a molecular weight of 325.32 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(4-nitrophenyl)prop-2-enylideneamino]benzamide is sourced from PubChem (CID 4584749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).