N-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

C23H19F3N2O6 — CID 2299114

IUPACN-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
SMILESCOc1ccc(OCCNC(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1
InChIInChI=1S/C23H19F3N2O6/c1-32-17-6-8-18(9-7-17)33-12-11-27-22(29)15-3-2-4-19(13-15)34-21-10-5-16(23(24,25)26)14-20(21)28(30)31/h2-10,13-14H,11-12H2,1H3,(H,27,29)
InChIKeyLARQRHZCBVCIND-UHFFFAOYSA-N
MW476.41 g/mol
LogP5.22
Rot. Bonds9

About N-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide

N-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide (PubChem CID 2299114) has the molecular formula C23H19F3N2O6 and a molecular weight of 476.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
PubChem CID2299114
Molecular FormulaC23H19F3N2O6
Molecular Weight476.41 g/mol
Exact Mass476.12
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
SMILESCOc1ccc(OCCNC(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1
InChIInChI=1S/C23H19F3N2O6/c1-32-17-6-8-18(9-7-17)33-12-11-27-22(29)15-3-2-4-19(13-15)34-21-10-5-16(23(24,25)26)14-20(21)28(30)31/h2-10,13-14H,11-12H2,1H3,(H,27,29)
InChIKeyLARQRHZCBVCIND-UHFFFAOYSA-N
XLogP5.22
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.41
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide 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-[2-(4-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580264
N-[4-(benzyloxy)phenyl]-3-nitro-4-methoxybenzamide
CID 1219371
4-methoxy-3-nitro-N-phenethylbenzamide
CID 823655
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-methoxy-3-nitrobenzamide
CID 1250240
5-nitro-N,N'-bis(2-phenoxyethyl)isophthalamide
CID 3715537
3-(4-nitrophenoxy)-N-(tetrahydro-2-furanylmethyl)benzamide
CID 2986507
3-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureido]-phenoxy}-N-methyl-benzamide
CID 10310634
4-{4-[2-Nitro-4-(trifluoromethyl)phenoxy]benzoyl}morpholine
CID 1340484
N-[2-(4-methylphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 2172920
N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 2809826
N-[2-(3-methylphenoxy)ethyl]-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide
CID 4332811
2-(4-methoxyphenyl)-5-nitro-N-[2-[4-(trifluoromethyl)phenoxy]propyl]benzamide
CID 44523844

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide (CID 2299114) is N-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide is COc1ccc(OCCNC(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide?
The InChIKey is LARQRHZCBVCIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O6/c1-32-17-6-8-18(9-7-17)33-12-11-27-22(29)15-3-2-4-19(13-15)34-21-10-5-16(23(24,25)26)14-20(21)28(30)31/h2-10,13-14H,11-12H2,1H3,(H,27,29).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide?
N-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide has a molecular weight of 476.41 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-3-[2-nitro-4-(trifluoromethyl)phenoxy]benzamide is sourced from PubChem (CID 2299114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).