N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide

C18H18F3NO4 — CID 55891215

IUPACN-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
SMILESCOCCOc1cc(C)ccc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO4/c1-12-3-8-15(16(11-12)25-10-9-24-2)22-17(23)13-4-6-14(7-5-13)26-18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,22,23)
InChIKeyVRZHAYZMZNAKQK-UHFFFAOYSA-N
MW369.34 g/mol
LogP4.17
Rot. Bonds7

About N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide

N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 55891215) has the molecular formula C18H18F3NO4 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
PubChem CID55891215
Molecular FormulaC18H18F3NO4
Molecular Weight369.34 g/mol
Exact Mass369.12
IUPAC NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
SMILESCOCCOc1cc(C)ccc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO4/c1-12-3-8-15(16(11-12)25-10-9-24-2)22-17(23)13-4-6-14(7-5-13)26-18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,22,23)
InChIKeyVRZHAYZMZNAKQK-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
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

4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide
CID 55891092
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 60934173
2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 103733044
4-fluoro-N-[2-[2-(2-methoxyethoxy)-4-methylanilino]-2-oxoethyl]benzamide
CID 55950031
N-(2-ethoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 7935075
4-acetamido-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575123
3-methoxy-4-methyl-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 60575314
methyl 3-amino-4-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 122424116
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
1-[4-[[2-(2-methoxyethoxy)-4-methylphenyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylic acid
CID 75383498
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-methylbut-2-enamide
CID 113225723

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide (CID 55891215) is N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide is COCCOc1cc(C)ccc1NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is VRZHAYZMZNAKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4/c1-12-3-8-15(16(11-12)25-10-9-24-2)22-17(23)13-4-6-14(7-5-13)26-18(19,20)21/h3-8,11H,9-10H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide?
N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 369.34 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-4-methylphenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 55891215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).