N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide

C18H18F3NO4 — CID 1251443

IUPACN-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H18F3NO4/c1-4-26-14-8-6-12(18(19,20)21)10-13(14)22-17(23)11-5-7-15(24-2)16(9-11)25-3/h5-10H,4H2,1-3H3,(H,22,23)
InChIKeyABKKDJGCCVCVEJ-UHFFFAOYSA-N
MW369.34 g/mol
LogP4.37
Rot. Bonds6

About N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide

N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide (PubChem CID 1251443) has the molecular formula C18H18F3NO4 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
PubChem CID1251443
Molecular FormulaC18H18F3NO4
Molecular Weight369.34 g/mol
Exact Mass369.12
IUPAC NameN-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C18H18F3NO4/c1-4-26-14-8-6-12(18(19,20)21)10-13(14)22-17(23)11-5-7-15(24-2)16(9-11)25-3/h5-10H,4H2,1-3H3,(H,22,23)
InChIKeyABKKDJGCCVCVEJ-UHFFFAOYSA-N
XLogP4.37
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
3,5-dimethoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 2671998
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
3-methoxy-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 4880939
3,4-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 5299498
4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylsulfanylbenzamide
CID 1232472
N-(2-ethoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]benzamide
CID 51049781
4-methoxy-N-[2-propoxy-5-(trifluoromethyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26175468
N-[2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 5299499

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide (CID 1251443) is N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide is CCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide?
The InChIKey is ABKKDJGCCVCVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4/c1-4-26-14-8-6-12(18(19,20)21)10-13(14)22-17(23)11-5-7-15(24-2)16(9-11)25-3/h5-10H,4H2,1-3H3,(H,22,23).
What are the key properties of N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide?
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide has a molecular weight of 369.34 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 1251443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).