N-methyl-2-nitro-5-(trifluoromethoxy)benzamide

C9H7F3N2O4 — CID 157375550

IUPACN-methyl-2-nitro-5-(trifluoromethoxy)benzamide
SMILESCNC(=O)c1cc(OC(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H7F3N2O4/c1-13-8(15)6-4-5(18-9(10,11)12)2-3-7(6)14(16)17/h2-4H,1H3,(H,13,15)
InChIKeyBKHBOFQKTRMTBF-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.85
Rot. Bonds3

About N-methyl-2-nitro-5-(trifluoromethoxy)benzamide

N-methyl-2-nitro-5-(trifluoromethoxy)benzamide (PubChem CID 157375550) has the molecular formula C9H7F3N2O4 and a molecular weight of 264.16 g/mol. Its IUPAC name is N-methyl-2-nitro-5-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-methyl-2-nitro-5-(trifluoromethoxy)benzamide
PubChem CID157375550
Molecular FormulaC9H7F3N2O4
Molecular Weight264.16 g/mol
Exact Mass264.04
IUPAC NameN-methyl-2-nitro-5-(trifluoromethoxy)benzamide
SMILESCNC(=O)c1cc(OC(F)(F)F)ccc1[N+](=O)[O-]
InChIInChI=1S/C9H7F3N2O4/c1-13-8(15)6-4-5(18-9(10,11)12)2-3-7(6)14(16)17/h2-4H,1H3,(H,13,15)
InChIKeyBKHBOFQKTRMTBF-UHFFFAOYSA-N
XLogP1.85
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-nitro-5-[4-(trifluoromethoxy)phenyl]benzoate
CID 134635343
2-methoxy-1-nitro-4-(trifluoromethoxy)benzene
CID 53417127
2-nitro-5-(trifluoromethoxy)benzaldehyde
CID 162535108
N-methyl-5-methylsulfanyl-2-nitrobenzamide
CID 47128313
5-hydrazinyl-N-methyl-2-nitrobenzamide
CID 62248462
N-methyl-2-nitro-4-(trifluoromethyl)benzamide
CID 134085755
2-chloro-1-[2-nitro-4-(trifluoromethoxy)phenyl]ethanone
CID 171028738
2-bromo-1-[2-nitro-4-(trifluoromethoxy)phenyl]ethanone
CID 171028730
2-nitro-5-(trifluoromethoxy)benzonitrile
CID 45073540
5-methoxy-N-[4-[(5-methoxy-2-nitrobenzoyl)amino]phenyl]-2-nitrobenzamide
CID 131864696
4-(difluoromethoxy)-5-methoxy-2-nitro-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 42158088
[2-nitro-4-(trifluoromethoxy)phenyl]hydrazine
CID 118835724

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-nitro-5-(trifluoromethoxy)benzamide?
The IUPAC name of N-methyl-2-nitro-5-(trifluoromethoxy)benzamide (CID 157375550) is N-methyl-2-nitro-5-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-methyl-2-nitro-5-(trifluoromethoxy)benzamide?
The canonical SMILES for N-methyl-2-nitro-5-(trifluoromethoxy)benzamide is CNC(=O)c1cc(OC(F)(F)F)ccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-2-nitro-5-(trifluoromethoxy)benzamide?
The InChIKey is BKHBOFQKTRMTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O4/c1-13-8(15)6-4-5(18-9(10,11)12)2-3-7(6)14(16)17/h2-4H,1H3,(H,13,15).
What are the key properties of N-methyl-2-nitro-5-(trifluoromethoxy)benzamide?
N-methyl-2-nitro-5-(trifluoromethoxy)benzamide has a molecular weight of 264.16 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-nitro-5-(trifluoromethoxy)benzamide is sourced from PubChem (CID 157375550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).