3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide

C18H18F3NO4 — CID 4880939

IUPAC3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OC)c1
InChIInChI=1S/C18H18F3NO4/c1-24-8-9-26-16-7-6-13(18(19,20)21)11-15(16)22-17(23)12-4-3-5-14(10-12)25-2/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)
InChIKeyAAWFQSYNYYOVOD-UHFFFAOYSA-N
MW369.34 g/mol
LogP3.99
Rot. Bonds7

About 3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide

3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 4880939) has the molecular formula C18H18F3NO4 and a molecular weight of 369.34 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID4880939
Molecular FormulaC18H18F3NO4
Molecular Weight369.34 g/mol
Exact Mass369.12
IUPAC Name3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OC)c1
InChIInChI=1S/C18H18F3NO4/c1-24-8-9-26-16-7-6-13(18(19,20)21)11-15(16)22-17(23)12-4-3-5-14(10-12)25-2/h3-7,10-11H,8-9H2,1-2H3,(H,22,23)
InChIKeyAAWFQSYNYYOVOD-UHFFFAOYSA-N
XLogP3.99
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
N-(2,5-dimethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 531811
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34281761
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 55574118
N-[2-(3-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3,5-dimethylbenzamide
CID 7918318
3-cyano-N-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 38562779
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 2446516
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 17454228
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 78778220
N-[2,4-dichloro-5-(2-methoxyethoxy)phenyl]-3-methoxybenzamide
CID 3423334
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-3-methyl-4-nitrobenzamide
CID 8801965

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide (CID 4880939) is 3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is AAWFQSYNYYOVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4/c1-24-8-9-26-16-7-6-13(18(19,20)21)11-15(16)22-17(23)12-4-3-5-14(10-12)25-2/h3-7,10-11H,8-9H2,1-2H3,(H,22,23).
What are the key properties of 3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide?
3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 369.34 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 4880939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).