N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

C20H14N4O4 — CID 6906307

IUPACN-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14N4O4/c25-18(22-21-11-13-7-9-15(10-8-13)24(27)28)12-23-17-6-2-4-14-3-1-5-16(19(14)17)20(23)26/h1-11H,12H2,(H,22,25)/b21-11+
InChIKeyPBQUSFKXDBSWBT-SRZZPIQSSA-N
MW374.36 g/mol
LogP2.86
Rot. Bonds5

About N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide

N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (PubChem CID 6906307) has the molecular formula C20H14N4O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
PubChem CID6906307
Molecular FormulaC20H14N4O4
Molecular Weight374.36 g/mol
Exact Mass374.10
IUPAC NameN-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
SMILESO=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H14N4O4/c25-18(22-21-11-13-7-9-15(10-8-13)24(27)28)12-23-17-6-2-4-14-3-1-5-16(19(14)17)20(23)26/h1-11H,12H2,(H,22,25)/b21-11+
InChIKeyPBQUSFKXDBSWBT-SRZZPIQSSA-N
XLogP2.86
TPSA104.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.86
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'}

Analyze N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-oxobenzo[cd]indol-1-yl)-N-[(Z)-[4-(thietan-3-yloxy)phenyl]methylideneamino]acetamide
CID 124553182
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 137157575
N-[2-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6009175
2-(2-oxobenzo[cd]indol-1-yl)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 124553196
N-(2-hydroxyethyl)-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 43509846
N-[(Z)-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 124546755
N-[(4-cyanophenyl)methylideneamino]-4-[(2-oxobenzo[cd]indol-1-yl)methyl]benzamide
CID 3655735
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
2-(2-oxobenzo[cd]indol-1-yl)-N-pentan-3-ylacetamide
CID 7894073
2-(2,3-dioxoindol-1-yl)-N-(4-nitrophenyl)acetamide
CID 3704400
2-chloro-N-[2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3125178
N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide
CID 124546527

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The IUPAC name of N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide (CID 6906307) is N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The canonical SMILES for N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
The InChIKey is PBQUSFKXDBSWBT-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H14N4O4/c25-18(22-21-11-13-7-9-15(10-8-13)24(27)28)12-23-17-6-2-4-14-3-1-5-16(19(14)17)20(23)26/h1-11H,12H2,(H,22,25)/b21-11+.
What are the key properties of N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide?
N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide has a molecular weight of 374.36 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-nitrophenyl)methylideneamino]-2-(2-oxobenzo[cd]indol-1-yl)acetamide is sourced from PubChem (CID 6906307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).