N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide

C17H15N3O3 — CID 6885582

IUPACN-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15N3O3/c21-17(13-15-6-2-1-3-7-15)19-18-11-5-9-14-8-4-10-16(12-14)20(22)23/h1-12H,13H2,(H,19,21)/b9-5+,18-11+
InChIKeyFMZPJYPEVDSIBY-XOCAJXSXSA-N
MW309.33 g/mol
LogP2.95
Rot. Bonds6

About N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide

N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide (PubChem CID 6885582) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide
PubChem CID6885582
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/C=C/c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C17H15N3O3/c21-17(13-15-6-2-1-3-7-15)19-18-11-5-9-14-8-4-10-16(12-14)20(22)23/h1-12H,13H2,(H,19,21)/b9-5+,18-11+
InChIKeyFMZPJYPEVDSIBY-XOCAJXSXSA-N
XLogP2.95
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(cinnamylideneamino)-2-phenylacetamide
CID 562559
2-(2,4-dichlorophenoxy)-N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 6894450
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 110515234
2-(4-methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
CID 44665707
N-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide
CID 4616774
2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 73385252
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-pyridin-3-ylacetamide
CID 5398288
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
4-nitro-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]benzamide
CID 92529886
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide?
The IUPAC name of N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide (CID 6885582) is N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/C=C/c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide?
The InChIKey is FMZPJYPEVDSIBY-XOCAJXSXSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-17(13-15-6-2-1-3-7-15)19-18-11-5-9-14-8-4-10-16(12-14)20(22)23/h1-12H,13H2,(H,19,21)/b9-5+,18-11+.
What are the key properties of N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide?
N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide has a molecular weight of 309.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(3-nitrophenyl)prop-2-enylidene]amino]-2-phenylacetamide is sourced from PubChem (CID 6885582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).