N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide

C15H9F3N4O8 — CID 20568539

IUPACN-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide
SMILESCOc1ccc([N+](=O)[O-])cc1N(C=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H9F3N4O8/c1-30-13-3-2-9(20(24)25)6-10(13)19(7-23)14-11(21(26)27)4-8(15(16,17)18)5-12(14)22(28)29/h2-7H,1H3
InChIKeyFIWWGAIHZVZEQM-UHFFFAOYSA-N
MW430.25 g/mol
LogP3.73
Rot. Bonds7

About N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide

N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide (PubChem CID 20568539) has the molecular formula C15H9F3N4O8 and a molecular weight of 430.25 g/mol. Its IUPAC name is N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide.

Molecular Properties

Compound NameN-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide
PubChem CID20568539
Molecular FormulaC15H9F3N4O8
Molecular Weight430.25 g/mol
Exact Mass430.04
IUPAC NameN-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide
SMILESCOc1ccc([N+](=O)[O-])cc1N(C=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C15H9F3N4O8/c1-30-13-3-2-9(20(24)25)6-10(13)19(7-23)14-11(21(26)27)4-8(15(16,17)18)5-12(14)22(28)29/h2-7H,1H3
InChIKeyFIWWGAIHZVZEQM-UHFFFAOYSA-N
XLogP3.73
TPSA158.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.25
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

2-[N-(2-hydroxyethyl)-2-methoxy-5-nitroanilino]ethanol
CID 4640416
1-[3,5-bis(trifluoromethyl)phenoxy]-2,4-dinitrobenzene
CID 11474942
N-(4-chloro-2-methylphenyl)-N-[2,4-dinitro-6-(trifluoromethyl)phenyl]formamide
CID 20568551
2-methyl-2-[2-nitro-4-(trifluoromethyl)phenoxy]propanal
CID 10683913
N-methoxy-2,6-dinitro-N-prop-2-enyl-4-(trifluoromethyl)aniline
CID 54242312
2-methoxy-N,N-dimethyl-4,6-dinitroaniline
CID 50879932
(2-methoxy-5-nitrophenyl)-propan-2-ylcarbamic acid
CID 57351837
N-[(Z)-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylideneamino]-2-nitro-4-(trifluoromethyl)aniline
CID 126111745
1-methoxy-2-nitro-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 166073909
N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide
CID 59092898
N-(2-methoxy-5-nitrophenyl)-N-methylpropanamide
CID 59167877
2-methoxy-4-nitrobenzaldehyde
CID 2759599

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide?
The IUPAC name of N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide (CID 20568539) is N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide.
What is the SMILES notation for N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide?
The canonical SMILES for N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide is COc1ccc([N+](=O)[O-])cc1N(C=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide?
The InChIKey is FIWWGAIHZVZEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O8/c1-30-13-3-2-9(20(24)25)6-10(13)19(7-23)14-11(21(26)27)4-8(15(16,17)18)5-12(14)22(28)29/h2-7H,1H3.
What are the key properties of N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide?
N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide has a molecular weight of 430.25 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-(2-methoxy-5-nitrophenyl)formamide is sourced from PubChem (CID 20568539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).