N-(5-methoxy-2-methyl-4-nitrophenyl)formamide

C9H10N2O4 — CID 168654239

IUPACN-(5-methoxy-2-methyl-4-nitrophenyl)formamide
SMILESCOc1cc(NC=O)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O4/c1-6-3-8(11(13)14)9(15-2)4-7(6)10-5-12/h3-5H,1-2H3,(H,10,12)
InChIKeyDDNZDEZPHDFCGC-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.48
Rot. Bonds4

About N-(5-methoxy-2-methyl-4-nitrophenyl)formamide

N-(5-methoxy-2-methyl-4-nitrophenyl)formamide (PubChem CID 168654239) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is N-(5-methoxy-2-methyl-4-nitrophenyl)formamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methyl-4-nitrophenyl)formamide
PubChem CID168654239
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC NameN-(5-methoxy-2-methyl-4-nitrophenyl)formamide
SMILESCOc1cc(NC=O)c(C)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O4/c1-6-3-8(11(13)14)9(15-2)4-7(6)10-5-12/h3-5H,1-2H3,(H,10,12)
InChIKeyDDNZDEZPHDFCGC-UHFFFAOYSA-N
XLogP1.48
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(5-methoxy-2-methyl-4-nitrophenyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-fluoro-2-methoxy-4-nitrophenyl)formamide
CID 168650974
N-(5-chloro-4-methyl-2-nitrophenyl)formamide
CID 168653069
2-(azepan-1-ium-1-yl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 8896042
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
2-(5-methoxy-2-methyl-4-nitrophenyl)propan-2-amine
CID 122629328
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-phenoxyacetamide
CID 7818239
N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 3628825
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 3970477
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-ethoxyacetate
CID 4874977
N-[5-[tert-butyl(diphenyl)silyl]oxy-4-methoxy-2-nitrophenyl]formamide
CID 58622923
[2-(tert-butylamino)-2-oxoethyl]-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]-methylazanium
CID 8756805
4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methyl-4-nitrophenyl)formamide?
The IUPAC name of N-(5-methoxy-2-methyl-4-nitrophenyl)formamide (CID 168654239) is N-(5-methoxy-2-methyl-4-nitrophenyl)formamide.
What is the SMILES notation for N-(5-methoxy-2-methyl-4-nitrophenyl)formamide?
The canonical SMILES for N-(5-methoxy-2-methyl-4-nitrophenyl)formamide is COc1cc(NC=O)c(C)cc1[N+](=O)[O-].
What is the InChIKey of N-(5-methoxy-2-methyl-4-nitrophenyl)formamide?
The InChIKey is DDNZDEZPHDFCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-6-3-8(11(13)14)9(15-2)4-7(6)10-5-12/h3-5H,1-2H3,(H,10,12).
What are the key properties of N-(5-methoxy-2-methyl-4-nitrophenyl)formamide?
N-(5-methoxy-2-methyl-4-nitrophenyl)formamide has a molecular weight of 210.19 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methyl-4-nitrophenyl)formamide is sourced from PubChem (CID 168654239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).