3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide

C11H12F3NO4 — CID 81340679

IUPAC3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide
SMILESCOc1cc(OC)cc(C(=O)NOCC(F)(F)F)c1
InChIInChI=1S/C11H12F3NO4/c1-17-8-3-7(4-9(5-8)18-2)10(16)15-19-6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyZZWHOVARBCGQTA-UHFFFAOYSA-N
MW279.21 g/mol
LogP1.93
Rot. Bonds5

About 3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide

3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 81340679) has the molecular formula C11H12F3NO4 and a molecular weight of 279.21 g/mol. Its IUPAC name is 3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide
PubChem CID81340679
Molecular FormulaC11H12F3NO4
Molecular Weight279.21 g/mol
Exact Mass279.07
IUPAC Name3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide
SMILESCOc1cc(OC)cc(C(=O)NOCC(F)(F)F)c1
InChIInChI=1S/C11H12F3NO4/c1-17-8-3-7(4-9(5-8)18-2)10(16)15-19-6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyZZWHOVARBCGQTA-UHFFFAOYSA-N
XLogP1.93
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-methyl-N-(2,2,2-trifluoroethoxy)benzamide
CID 82722087
3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78985256
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
1-(3,5-dimethoxyphenyl)-4,4,4-trifluorobutane-1,3-dione
CID 129319908
4-bromo-2-methoxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 81339730
6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 81340039
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide
CID 81339728
3,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 64996551
N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide
CID 90534721
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide
CID 2328696

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide (CID 81340679) is 3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide is COc1cc(OC)cc(C(=O)NOCC(F)(F)F)c1.
What is the InChIKey of 3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is ZZWHOVARBCGQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO4/c1-17-8-3-7(4-9(5-8)18-2)10(16)15-19-6-11(12,13)14/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide?
3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 279.21 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 81340679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).