2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

C19H18F3NO3 — CID 30829879

IUPAC2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESC=CCOc1ccccc1C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO3/c1-2-11-25-17-6-4-3-5-16(17)18(24)23-12-14-7-9-15(10-8-14)26-13-19(20,21)22/h2-10H,1,11-13H2,(H,23,24)
InChIKeyVRRMVZAHTLSYOW-UHFFFAOYSA-N
MW365.35 g/mol
LogP4.12
Rot. Bonds8

About 2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide

2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (PubChem CID 30829879) has the molecular formula C19H18F3NO3 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
PubChem CID30829879
Molecular FormulaC19H18F3NO3
Molecular Weight365.35 g/mol
Exact Mass365.12
IUPAC Name2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
SMILESC=CCOc1ccccc1C(=O)NCc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO3/c1-2-11-25-17-6-4-3-5-16(17)18(24)23-12-14-7-9-15(10-8-14)26-13-19(20,21)22/h2-10H,1,11-13H2,(H,23,24)
InChIKeyVRRMVZAHTLSYOW-UHFFFAOYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 3356
Pxs-4728A
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R-(-)-Flecainide
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2-methoxy-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 808577
N-[3-(dimethylamino)propyl]-2-phenoxybenzamide
CID 1928169
N-(4-methoxyphenethyl)benzamide
CID 3083797
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058
Pxs-4728
CID 71812247
N-(3,3-Dimethyl-butyl)-4-hexyloxy-benzamide
CID 10979664
N-(3-(trifluoromethyl)benzyl)-4-phenoxybenzamide
CID 11703439

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The IUPAC name of 2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide (CID 30829879) is 2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is C=CCOc1ccccc1C(=O)NCc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
The InChIKey is VRRMVZAHTLSYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO3/c1-2-11-25-17-6-4-3-5-16(17)18(24)23-12-14-7-9-15(10-8-14)26-13-19(20,21)22/h2-10H,1,11-13H2,(H,23,24).
What are the key properties of 2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide?
2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide has a molecular weight of 365.35 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxy-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 30829879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).