4-amino-3-methoxy-5-nitro-N-oxobenzamide

C8H7N3O5 — CID 153404100

IUPAC4-amino-3-methoxy-5-nitro-N-oxobenzamide
SMILESCOc1cc(C(=O)N=O)cc([N+](=O)[O-])c1N
InChIInChI=1S/C8H7N3O5/c1-16-6-3-4(8(12)10-13)2-5(7(6)9)11(14)15/h2-3H,9H2,1H3
InChIKeyNYUOIVUEMXNNBL-UHFFFAOYSA-N
MW225.16 g/mol
LogP1.09
Rot. Bonds3

About 4-amino-3-methoxy-5-nitro-N-oxobenzamide

4-amino-3-methoxy-5-nitro-N-oxobenzamide (PubChem CID 153404100) has the molecular formula C8H7N3O5 and a molecular weight of 225.16 g/mol. Its IUPAC name is 4-amino-3-methoxy-5-nitro-N-oxobenzamide.

Molecular Properties

Compound Name4-amino-3-methoxy-5-nitro-N-oxobenzamide
PubChem CID153404100
Molecular FormulaC8H7N3O5
Molecular Weight225.16 g/mol
Exact Mass225.04
IUPAC Name4-amino-3-methoxy-5-nitro-N-oxobenzamide
SMILESCOc1cc(C(=O)N=O)cc([N+](=O)[O-])c1N
InChIInChI=1S/C8H7N3O5/c1-16-6-3-4(8(12)10-13)2-5(7(6)9)11(14)15/h2-3H,9H2,1H3
InChIKeyNYUOIVUEMXNNBL-UHFFFAOYSA-N
XLogP1.09
TPSA124.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(1-ethoxyethenyl)-2-methoxy-6-nitroaniline
CID 129235109
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152
1-(3-methoxy-4-nitrophenyl)ethanone
CID 11679990
propan-2-yl 2-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-oxoacetate
CID 21458955
4-amino-N,N-dimethyl-3,5-dinitrobenzamide
CID 86098772
2-amino-1-(4-methoxy-3-nitrophenyl)ethanone
CID 7176072
3-(3,4-dimethoxy-5-nitrophenyl)-3-oxopropanoate
CID 21459038
(3-amino-4,5-dimethoxyphenyl)-phenylmethanone;(3,4-dimethoxy-5-nitrophenyl)-phenylmethanone
CID 159399191
1-[4-(4-acetyl-2-methoxyphenoxy)-3-nitrophenyl]ethanone
CID 9112488
2-(3,4-dimethoxy-5-nitrobenzoyl)propanedioic acid
CID 21459187
2-bromo-6-methoxy-4-nitroaniline
CID 7099118
2-amino-4-methoxy-5-nitrobenzamide
CID 131344074

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-5-nitro-N-oxobenzamide?
The IUPAC name of 4-amino-3-methoxy-5-nitro-N-oxobenzamide (CID 153404100) is 4-amino-3-methoxy-5-nitro-N-oxobenzamide.
What is the SMILES notation for 4-amino-3-methoxy-5-nitro-N-oxobenzamide?
The canonical SMILES for 4-amino-3-methoxy-5-nitro-N-oxobenzamide is COc1cc(C(=O)N=O)cc([N+](=O)[O-])c1N.
What is the InChIKey of 4-amino-3-methoxy-5-nitro-N-oxobenzamide?
The InChIKey is NYUOIVUEMXNNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O5/c1-16-6-3-4(8(12)10-13)2-5(7(6)9)11(14)15/h2-3H,9H2,1H3.
What are the key properties of 4-amino-3-methoxy-5-nitro-N-oxobenzamide?
4-amino-3-methoxy-5-nitro-N-oxobenzamide has a molecular weight of 225.16 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-5-nitro-N-oxobenzamide is sourced from PubChem (CID 153404100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).