N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide

C18H14ClN3O3 — CID 1004063

IUPACN-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O3/c19-14-5-7-15(8-6-14)20-18(23)12-21-11-13(9-10-22(24)25)16-3-1-2-4-17(16)21/h1-11H,12H2,(H,20,23)/b10-9+
InChIKeyRZKMZFXAWLGYSK-MDZDMXLPSA-N
MW355.78 g/mol
LogP4.18
Rot. Bonds5

About N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide

N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide (PubChem CID 1004063) has the molecular formula C18H14ClN3O3 and a molecular weight of 355.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide
PubChem CID1004063
Molecular FormulaC18H14ClN3O3
Molecular Weight355.78 g/mol
Exact Mass355.07
IUPAC NameN-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide
SMILESO=C(Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H14ClN3O3/c19-14-5-7-15(8-6-14)20-18(23)12-21-11-13(9-10-22(24)25)16-3-1-2-4-17(16)21/h1-11H,12H2,(H,20,23)/b10-9+
InChIKeyRZKMZFXAWLGYSK-MDZDMXLPSA-N
XLogP4.18
TPSA77.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.78
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(3-chloro-4-fluorophenyl)-2-(3-formylindol-1-yl)acetamide
CID 775578
N-(4-chlorophenyl)-2-[3-[(E)-[(4-methylphenyl)sulfonylhydrazinylidene]methyl]indol-1-yl]acetamide
CID 73346537
N-(4-acetamidophenyl)-2-(3-formylindol-1-yl)acetamide
CID 46858691
2-[1-[2-(4-chloroanilino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 5302279
N-(4-fluorophenyl)-2-[3-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]indol-1-yl]acetamide
CID 2957270
N-(4-fluorophenyl)-2-[3-[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]indol-1-yl]acetamide
CID 17336739
2-[3-[(Z)-[3-[2-(4-chloroanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
CID 126278617
N-(4-chlorophenyl)-2-[3-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)iminomethyl]indol-1-yl]acetamide
CID 3958131
N-(4-cyanophenyl)-2-(3-formylindol-1-yl)acetamide
CID 4171162
N-(4-chlorophenyl)-2-[3-[(Z)-(2,4-dioxo-3-prop-2-ynyl-1,3-thiazolidin-5-ylidene)methyl]indol-1-yl]acetamide
CID 6183694
2-[(5Z)-5-[(1-benzylindol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide
CID 126352256
2-[3-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]indol-1-yl]-N-phenylacetamide
CID 126106352

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide (CID 1004063) is N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide is O=C(Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide?
The InChIKey is RZKMZFXAWLGYSK-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H14ClN3O3/c19-14-5-7-15(8-6-14)20-18(23)12-21-11-13(9-10-22(24)25)16-3-1-2-4-17(16)21/h1-11H,12H2,(H,20,23)/b10-9+.
What are the key properties of N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide?
N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide has a molecular weight of 355.78 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-[(E)-2-nitroethenyl]indol-1-yl]acetamide is sourced from PubChem (CID 1004063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).