3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide

C14H16F3NO3 — CID 51094556

IUPAC3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESC=CCN(CC(F)(F)F)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H16F3NO3/c1-4-7-18(9-14(15,16)17)13(19)10-5-6-11(20-2)12(8-10)21-3/h4-6,8H,1,7,9H2,2-3H3
InChIKeySHHCBQDJWSTJRP-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.89
Rot. Bonds6

About 3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide

3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 51094556) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID51094556
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Name3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESC=CCN(CC(F)(F)F)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C14H16F3NO3/c1-4-7-18(9-14(15,16)17)13(19)10-5-6-11(20-2)12(8-10)21-3/h4-6,8H,1,7,9H2,2-3H3
InChIKeySHHCBQDJWSTJRP-UHFFFAOYSA-N
XLogP2.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094536
3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
CID 78784416
2-[(4-ethoxy-3-methoxybenzoyl)-prop-2-enylamino]acetic acid
CID 79264534
4-butoxy-N-(2,2-dimethylpropyl)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 56531111
N-butyl-4-(difluoromethoxy)-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 55661909
N-(2-chloroethyl)-3-fluoro-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492036
3-hydroxy-4-methoxy-N-(2-methoxyethyl)-N-prop-2-enylbenzamide
CID 103339075
3-bromo-N-(2-bromoethyl)-4-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 107492573
3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 61109632
N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
CID 112819847
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N,N-bis(prop-2-enyl)benzamide
CID 23723924
ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate
CID 81013907

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide (CID 51094556) is 3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide is C=CCN(CC(F)(F)F)C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is SHHCBQDJWSTJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-4-7-18(9-14(15,16)17)13(19)10-5-6-11(20-2)12(8-10)21-3/h4-6,8H,1,7,9H2,2-3H3.
What are the key properties of 3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide?
3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 303.28 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 51094556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).