2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide

C20H14N4O6 — CID 4524835

IUPAC2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H14N4O6/c25-19(15-8-1-3-10-17(15)23(27)28)21-13-6-5-7-14(12-13)22-20(26)16-9-2-4-11-18(16)24(29)30/h1-12H,(H,21,25)(H,22,26)
InChIKeyAETWDXSRWKQWNC-UHFFFAOYSA-N
MW406.35 g/mol
LogP4.01
Rot. Bonds6

About 2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide

2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide (PubChem CID 4524835) has the molecular formula C20H14N4O6 and a molecular weight of 406.35 g/mol. Its IUPAC name is 2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
PubChem CID4524835
Molecular FormulaC20H14N4O6
Molecular Weight406.35 g/mol
Exact Mass406.09
IUPAC Name2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
SMILESO=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C20H14N4O6/c25-19(15-8-1-3-10-17(15)23(27)28)21-13-6-5-7-14(12-13)22-20(26)16-9-2-4-11-18(16)24(29)30/h1-12H,(H,21,25)(H,22,26)
InChIKeyAETWDXSRWKQWNC-UHFFFAOYSA-N
XLogP4.01
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.35
LogP ≤ 54.01
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-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3644824
2-nitro-N-(3-propan-2-yloxyphenyl)benzamide
CID 17154668
N-[3-[(2-nitrobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39679512
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
ethane;2-nitro-N-(3-propylphenyl)benzamide
CID 90843010
2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate
CID 54714318
N-(4-chloro-3-hydroxyphenyl)-2-nitrobenzamide
CID 64786319
2,3-dinitro-N-phenylbenzamide
CID 18931494
2-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
2-nitro-N-(3-phenylmethoxyphenyl)benzamide
CID 17085980
2-nitro-N-[8-[(2-nitrobenzoyl)amino]-5,5-dioxodibenzothiophen-2-yl]benzamide
CID 2179848
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide?
The IUPAC name of 2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide (CID 4524835) is 2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide is O=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide?
The InChIKey is AETWDXSRWKQWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O6/c25-19(15-8-1-3-10-17(15)23(27)28)21-13-6-5-7-14(12-13)22-20(26)16-9-2-4-11-18(16)24(29)30/h1-12H,(H,21,25)(H,22,26).
What are the key properties of 2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide?
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide has a molecular weight of 406.35 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 4524835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).