N-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide

C16H13F3N2O5 — CID 2291786

IUPACN-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C16H13F3N2O5/c1-25-13-5-3-2-4-11(13)20-15(22)9-26-14-7-6-10(16(17,18)19)8-12(14)21(23)24/h2-8H,9H2,1H3,(H,20,22)
InChIKeyRWMNABIHERJEFO-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.64
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide

N-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 2291786) has the molecular formula C16H13F3N2O5 and a molecular weight of 370.28 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide
PubChem CID2291786
Molecular FormulaC16H13F3N2O5
Molecular Weight370.28 g/mol
Exact Mass370.08
IUPAC NameN-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide
SMILESCOc1ccccc1NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
InChIInChI=1S/C16H13F3N2O5/c1-25-13-5-3-2-4-11(13)20-15(22)9-26-14-7-6-10(16(17,18)19)8-12(14)21(23)24/h2-8H,9H2,1H3,(H,20,22)
InChIKeyRWMNABIHERJEFO-UHFFFAOYSA-N
XLogP3.64
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.64
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

N-(4-nitrophenyl)-2-phenoxyacetamide
CID 309593
S-3-(4-Fluorophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide
CID 5288215
(2S)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(pentafluorophenoxy)propanamide
CID 10174090
(2S)-2-hydroxy-3-(4-iodophenoxy)-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 10436349
(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 11200352
2-(4-Methoxy-3-nitro-benzylsulfanyl)-N-phenyl-acetamide
CID 585384
2H-1,4-Benzoxazine-3(4H)-one, 6-methyl-
CID 2763839
(2R)-3-(4-fluorophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
CID 10201099
[2-(2-Oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)phenyl]phosphonic acid
CID 17588019
2-phenoxy-N-(3-vinylphenyl)acetamide
CID 2231690
N-(1-cyanocyclohexyl)-2-(2-nitrophenoxy)acetamide
CID 8285101
N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18077750

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide (CID 2291786) is N-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide is COc1ccccc1NC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-].
What is the InChIKey of N-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is RWMNABIHERJEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O5/c1-25-13-5-3-2-4-11(13)20-15(22)9-26-14-7-6-10(16(17,18)19)8-12(14)21(23)24/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of N-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide?
N-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 370.28 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[2-nitro-4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 2291786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).