2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide

C24H16N4O6 — CID 15997975

IUPAC2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
SMILESO=C(Nc1cccc2c(NC(=O)c3ccccc3[N+](=O)[O-])cccc12)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C24H16N4O6/c29-23(17-7-1-3-13-21(17)27(31)32)25-19-11-5-10-16-15(19)9-6-12-20(16)26-24(30)18-8-2-4-14-22(18)28(33)34/h1-14H,(H,25,29)(H,26,30)
InChIKeyYGWFAIRGARXQQW-UHFFFAOYSA-N
MW456.41 g/mol
LogP5.16
Rot. Bonds6

About 2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide

2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide (PubChem CID 15997975) has the molecular formula C24H16N4O6 and a molecular weight of 456.41 g/mol. Its IUPAC name is 2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
PubChem CID15997975
Molecular FormulaC24H16N4O6
Molecular Weight456.41 g/mol
Exact Mass456.11
IUPAC Name2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
SMILESO=C(Nc1cccc2c(NC(=O)c3ccccc3[N+](=O)[O-])cccc12)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C24H16N4O6/c29-23(17-7-1-3-13-21(17)27(31)32)25-19-11-5-10-16-15(19)9-6-12-20(16)26-24(30)18-8-2-4-14-22(18)28(33)34/h1-14H,(H,25,29)(H,26,30)
InChIKeyYGWFAIRGARXQQW-UHFFFAOYSA-N
XLogP5.16
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.41
LogP ≤ 55.16
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

[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
N-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide
CID 4264327
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
N-(2-methylsulfonylphenyl)-2-nitrobenzamide
CID 22245129
2-nitro-N-(2,4,5-trichlorophenyl)benzamide
CID 711434
N-[2-(difluoromethylsulfanyl)phenyl]-2-nitrobenzamide
CID 16549753
2-nitro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150872
N-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide
CID 53359987
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
2-chloro-N-[2-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 115931017

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide?
The IUPAC name of 2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide (CID 15997975) is 2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide.
What is the SMILES notation for 2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide?
The canonical SMILES for 2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide is O=C(Nc1cccc2c(NC(=O)c3ccccc3[N+](=O)[O-])cccc12)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide?
The InChIKey is YGWFAIRGARXQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O6/c29-23(17-7-1-3-13-21(17)27(31)32)25-19-11-5-10-16-15(19)9-6-12-20(16)26-24(30)18-8-2-4-14-22(18)28(33)34/h1-14H,(H,25,29)(H,26,30).
What are the key properties of 2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide?
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide has a molecular weight of 456.41 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide is sourced from PubChem (CID 15997975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).