N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide

C14H11N3O6 — CID 2307230

IUPACN-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11N3O6/c1-23-13-6-5-10(8-12(13)17(21)22)15-14(18)9-3-2-4-11(7-9)16(19)20/h2-8H,1H3,(H,15,18)
InChIKeyZZFBZMVSRXMCKI-UHFFFAOYSA-N
MW317.26 g/mol
LogP2.76
Rot. Bonds5

About N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide

N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide (PubChem CID 2307230) has the molecular formula C14H11N3O6 and a molecular weight of 317.26 g/mol. Its IUPAC name is N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
PubChem CID2307230
Molecular FormulaC14H11N3O6
Molecular Weight317.26 g/mol
Exact Mass317.06
IUPAC NameN-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H11N3O6/c1-23-13-6-5-10(8-12(13)17(21)22)15-14(18)9-3-2-4-11(7-9)16(19)20/h2-8H,1H3,(H,15,18)
InChIKeyZZFBZMVSRXMCKI-UHFFFAOYSA-N
XLogP2.76
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
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-(3,4-dimethoxyphenyl)-3-nitrobenzamide
CID 822743
N-(3-amino-4-methoxyphenyl)-3-nitrobenzamide
CID 43599838
3,4,5-trimethoxy-N-(4-methoxy-3-nitrophenyl)benzamide
CID 17101962
N-(3-bromo-4-methoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 3533545
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
(E)-N-(4-methoxy-3-nitrophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 17101982
N-(4-methoxy-3-nitrophenyl)furan-3-carboxamide
CID 75484436
4-methoxy-3-nitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095350
N-(3-bromo-4-methoxyphenyl)-3,5-dinitrobenzamide
CID 3548718
N-(4-methoxy-3-nitrophenyl)-1,3-benzodioxole-5-carboxamide
CID 2205336
N-[3-(diethylcarbamoyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 26712704
N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-nitrobenzamide
CID 55865426

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide?
The IUPAC name of N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide (CID 2307230) is N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide.
What is the SMILES notation for N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide?
The canonical SMILES for N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide is COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide?
The InChIKey is ZZFBZMVSRXMCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O6/c1-23-13-6-5-10(8-12(13)17(21)22)15-14(18)9-3-2-4-11(7-9)16(19)20/h2-8H,1H3,(H,15,18).
What are the key properties of N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide?
N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide has a molecular weight of 317.26 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-nitrophenyl)-3-nitrobenzamide is sourced from PubChem (CID 2307230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).