N,2-dimethoxy-4-nitrobenzamide

C9H10N2O5 — CID 44632214

IUPACN,2-dimethoxy-4-nitrobenzamide
SMILESCONC(=O)c1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C9H10N2O5/c1-15-8-5-6(11(13)14)3-4-7(8)9(12)10-16-2/h3-5H,1-2H3,(H,10,12)
InChIKeyUPCMEZKKLAMWDM-UHFFFAOYSA-N
MW226.19 g/mol
LogP0.89
Rot. Bonds4

About N,2-dimethoxy-4-nitrobenzamide

N,2-dimethoxy-4-nitrobenzamide (PubChem CID 44632214) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is N,2-dimethoxy-4-nitrobenzamide.

Molecular Properties

Compound NameN,2-dimethoxy-4-nitrobenzamide
PubChem CID44632214
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC NameN,2-dimethoxy-4-nitrobenzamide
SMILESCONC(=O)c1ccc([N+](=O)[O-])cc1OC
InChIInChI=1S/C9H10N2O5/c1-15-8-5-6(11(13)14)3-4-7(8)9(12)10-16-2/h3-5H,1-2H3,(H,10,12)
InChIKeyUPCMEZKKLAMWDM-UHFFFAOYSA-N
XLogP0.89
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

methyl 2-methoxy-4-nitrobenzoate
CID 10798535
2-methoxy-4-nitrobenzoate
CID 6995516
N-(1,3-dihydroxypropan-2-yl)-2-methoxy-4-nitrobenzamide
CID 104783674
N-(2-bromoethyl)-2-methoxy-4-nitrobenzamide
CID 104783551
N-[(2S)-2-hydroxypropyl]-2-methoxy-4-nitrobenzamide
CID 113452647
N-(2-amino-3-methylbutyl)-2-methoxy-4-nitrobenzamide
CID 104783820
N-(1,3-dichloro-2-methylpropan-2-yl)-2-methoxy-4-nitrobenzamide
CID 104784855
N-(2-bromoprop-2-enyl)-2-methoxy-4-nitrobenzamide
CID 113465196
N-(1-cyanopropyl)-2-methoxy-4-nitrobenzamide
CID 104783373
2-methoxy-4-nitro-N-(3-sulfamoylpropyl)benzamide
CID 104783902
N-(2-amino-1-cyclopropylethyl)-2-methoxy-4-nitrobenzamide
CID 104783824
5-[(2-methoxy-4-nitrobenzoyl)amino]pentanoic acid
CID 104783294

Frequently Asked Questions

What is the IUPAC name of N,2-dimethoxy-4-nitrobenzamide?
The IUPAC name of N,2-dimethoxy-4-nitrobenzamide (CID 44632214) is N,2-dimethoxy-4-nitrobenzamide.
What is the SMILES notation for N,2-dimethoxy-4-nitrobenzamide?
The canonical SMILES for N,2-dimethoxy-4-nitrobenzamide is CONC(=O)c1ccc([N+](=O)[O-])cc1OC.
What is the InChIKey of N,2-dimethoxy-4-nitrobenzamide?
The InChIKey is UPCMEZKKLAMWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c1-15-8-5-6(11(13)14)3-4-7(8)9(12)10-16-2/h3-5H,1-2H3,(H,10,12).
What are the key properties of N,2-dimethoxy-4-nitrobenzamide?
N,2-dimethoxy-4-nitrobenzamide has a molecular weight of 226.19 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethoxy-4-nitrobenzamide is sourced from PubChem (CID 44632214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).