2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide

C18H10N4O6 — CID 3248684

IUPAC2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide
SMILESO=C(Nc1ccc2c3c(cccc13)C(=O)N2)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C18H10N4O6/c23-17(11-5-4-9(21(25)26)8-15(11)22(27)28)19-13-6-7-14-16-10(13)2-1-3-12(16)18(24)20-14/h1-8H,(H,19,23)(H,20,24)
InChIKeyVVEFVGQCRZZWRC-UHFFFAOYSA-N
MW378.30 g/mol
LogP3.47
Rot. Bonds4

About 2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide

2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide (PubChem CID 3248684) has the molecular formula C18H10N4O6 and a molecular weight of 378.30 g/mol. Its IUPAC name is 2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide.

Molecular Properties

Compound Name2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide
PubChem CID3248684
Molecular FormulaC18H10N4O6
Molecular Weight378.30 g/mol
Exact Mass378.06
IUPAC Name2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide
SMILESO=C(Nc1ccc2c3c(cccc13)C(=O)N2)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C18H10N4O6/c23-17(11-5-4-9(21(25)26)8-15(11)22(27)28)19-13-6-7-14-16-10(13)2-1-3-12(16)18(24)20-14/h1-8H,(H,19,23)(H,20,24)
InChIKeyVVEFVGQCRZZWRC-UHFFFAOYSA-N
XLogP3.47
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-bromophenyl)-2,4-dinitrobenzamide
CID 4244481
N-[2-(2-hydroxyethylamino)-5-nitrophenyl]-2-oxo-1H-benzo[cd]indole-6-sulfonamide
CID 55662991
N-(2-ethylphenyl)-2,4-dinitrobenzamide
CID 4582085
N-[4-[4-[(2,4-dinitrobenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-2,4-dinitrobenzamide
CID 3643668
N-(4-bromo-2-fluorophenyl)-2,4-dinitrobenzamide
CID 3306901
N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide
CID 4674199
1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
2-(methylamino)-N-naphthalen-1-yl-5-nitrobenzamide
CID 16963020
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2,4-dinitrobenzamide
CID 3648030
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
2,4-dinitro-N-(2-phenoxyphenyl)benzamide
CID 4693634
4-[(4-nitro-2-sulfobenzoyl)amino]naphthalene-1,5-disulfonic acid
CID 23335912

Frequently Asked Questions

What is the IUPAC name of 2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide?
The IUPAC name of 2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide (CID 3248684) is 2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide.
What is the SMILES notation for 2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide?
The canonical SMILES for 2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide is O=C(Nc1ccc2c3c(cccc13)C(=O)N2)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide?
The InChIKey is VVEFVGQCRZZWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N4O6/c23-17(11-5-4-9(21(25)26)8-15(11)22(27)28)19-13-6-7-14-16-10(13)2-1-3-12(16)18(24)20-14/h1-8H,(H,19,23)(H,20,24).
What are the key properties of 2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide?
2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide has a molecular weight of 378.30 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dinitro-N-(2-oxo-1H-benzo[cd]indol-6-yl)benzamide is sourced from PubChem (CID 3248684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).