(5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide

C20H22F3NO2 — CID 16725169

IUPAC(5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide
SMILESC/C=C1\COC(C(=O)NCc2ccccc2)(C(F)(F)F)C=C1C=C(C)C
InChIInChI=1S/C20H22F3NO2/c1-4-16-13-26-19(20(21,22)23,11-17(16)10-14(2)3)18(25)24-12-15-8-6-5-7-9-15/h4-11H,12-13H2,1-3H3,(H,24,25)/b16-4+
InChIKeyZAEMXAJCKHIUTB-AYSLTRBKSA-N
MW365.40 g/mol
LogP4.47
Rot. Bonds4

About (5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide

(5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide (PubChem CID 16725169) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is (5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide.

Molecular Properties

Compound Name(5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide
PubChem CID16725169
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name(5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide
SMILESC/C=C1\COC(C(=O)NCc2ccccc2)(C(F)(F)F)C=C1C=C(C)C
InChIInChI=1S/C20H22F3NO2/c1-4-16-13-26-19(20(21,22)23,11-17(16)10-14(2)3)18(25)24-12-15-8-6-5-7-9-15/h4-11H,12-13H2,1-3H3,(H,24,25)/b16-4+
InChIKeyZAEMXAJCKHIUTB-AYSLTRBKSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide?
The IUPAC name of (5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide (CID 16725169) is (5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide.
What is the SMILES notation for (5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide?
The canonical SMILES for (5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide is C/C=C1\COC(C(=O)NCc2ccccc2)(C(F)(F)F)C=C1C=C(C)C.
What is the InChIKey of (5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide?
The InChIKey is ZAEMXAJCKHIUTB-AYSLTRBKSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-4-16-13-26-19(20(21,22)23,11-17(16)10-14(2)3)18(25)24-12-15-8-6-5-7-9-15/h4-11H,12-13H2,1-3H3,(H,24,25)/b16-4+.
What are the key properties of (5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide?
(5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide has a molecular weight of 365.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide is sourced from PubChem (CID 16725169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).