3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide

C14H16F3NO3 — CID 18105718

IUPAC3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESC/C=C/c1cc(C(=O)NCC(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C14H16F3NO3/c1-4-5-9-6-10(7-11(20-2)12(9)21-3)13(19)18-8-14(15,16)17/h4-7H,8H2,1-3H3,(H,18,19)/b5-4+
InChIKeyXUCULCQYSNOKDE-SNAWJCMRSA-N
MW303.28 g/mol
LogP3.03
Rot. Bonds5

About 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide

3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 18105718) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID18105718
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESC/C=C/c1cc(C(=O)NCC(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C14H16F3NO3/c1-4-5-9-6-10(7-11(20-2)12(9)21-3)13(19)18-8-14(15,16)17/h4-7H,8H2,1-3H3,(H,18,19)/b5-4+
InChIKeyXUCULCQYSNOKDE-SNAWJCMRSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-prop-2-enylbenzamide
CID 17456116
N-(3-amino-2,2-difluoropropyl)-3,4,5-trimethoxybenzamide
CID 114383408
N-(2,2,2-trifluoroethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18105578
N-(4-fluoro-2-methylphenyl)-3,4-dimethoxy-5-[(Z)-prop-1-enyl]benzamide
CID 97432010
N-(4-fluoro-2-methylphenyl)-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
CID 24529374
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050
3-chloro-4,5-dimethoxy-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 30806369
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
CID 24532422
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3,4-dimethoxy-5-[(E)-prop-1-enyl]benzamide
CID 18161468
3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78985256
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529
4-bromo-N-(2,2-difluoro-3-hydroxypropyl)-3,5-dimethoxybenzamide
CID 104857145

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 18105718) is 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide is C/C=C/c1cc(C(=O)NCC(F)(F)F)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is XUCULCQYSNOKDE-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-4-5-9-6-10(7-11(20-2)12(9)21-3)13(19)18-8-14(15,16)17/h4-7H,8H2,1-3H3,(H,18,19)/b5-4+.
What are the key properties of 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide?
3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 303.28 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-[(E)-prop-1-enyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 18105718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).