(2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide

C19H14F3NO2 — CID 101349181

IUPAC(2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide
SMILESCc1ccc2c(c1)/C(=C/C(=O)Nc1ccccc1)C=C(C(F)(F)F)O2
InChIInChI=1S/C19H14F3NO2/c1-12-7-8-16-15(9-12)13(10-17(25-16)19(20,21)22)11-18(24)23-14-5-3-2-4-6-14/h2-11H,1H3,(H,23,24)/b13-11+
InChIKeySBGCEEBVWAJPHY-ACCUITESSA-N
MW345.32 g/mol
LogP4.86
Rot. Bonds2

About (2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide

(2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide (PubChem CID 101349181) has the molecular formula C19H14F3NO2 and a molecular weight of 345.32 g/mol. Its IUPAC name is (2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide.

Molecular Properties

Compound Name(2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide
PubChem CID101349181
Molecular FormulaC19H14F3NO2
Molecular Weight345.32 g/mol
Exact Mass345.10
IUPAC Name(2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide
SMILESCc1ccc2c(c1)/C(=C/C(=O)Nc1ccccc1)C=C(C(F)(F)F)O2
InChIInChI=1S/C19H14F3NO2/c1-12-7-8-16-15(9-12)13(10-17(25-16)19(20,21)22)11-18(24)23-14-5-3-2-4-6-14/h2-11H,1H3,(H,23,24)/b13-11+
InChIKeySBGCEEBVWAJPHY-ACCUITESSA-N
XLogP4.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-oxo-1-benzofuran-2-ylidene)-N-phenylacetamide
CID 57126408
(Z)-3-(3-methylphenyl)-N-phenylprop-2-enamide
CID 97305777
2,2-difluoro-2-(4-methylphenyl)-N-phenylacetamide
CID 102584725
4-(8-methylbenzo[b][1,4]benzoxazepin-6-yl)-N-phenylpiperazine-1-carboxamide
CID 42689553
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
3,8-dimethyl-5,6-diphenylbenzo[b][1]benzoxepine
CID 13167351
5-methyl-N-phenyl-1H-indole-2-carboxamide
CID 3254922
5-methyl-2-(4-methylphenyl)-N-phenylbenzamide
CID 173213744
N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-(trifluoromethyl)benzamide
CID 40947791
3-(2,4-dimethylphenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4615195
2-[2,6-dimethyl-4-(phenylcarbamoylamino)phenyl]-4-methylbenzenesulfonic acid
CID 174228207
(Z)-N-phenylbut-2-enamide
CID 59909226

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide?
The IUPAC name of (2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide (CID 101349181) is (2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide.
What is the SMILES notation for (2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide?
The canonical SMILES for (2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide is Cc1ccc2c(c1)/C(=C/C(=O)Nc1ccccc1)C=C(C(F)(F)F)O2.
What is the InChIKey of (2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide?
The InChIKey is SBGCEEBVWAJPHY-ACCUITESSA-N. The full InChI is InChI=1S/C19H14F3NO2/c1-12-7-8-16-15(9-12)13(10-17(25-16)19(20,21)22)11-18(24)23-14-5-3-2-4-6-14/h2-11H,1H3,(H,23,24)/b13-11+.
What are the key properties of (2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide?
(2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide has a molecular weight of 345.32 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[6-methyl-2-(trifluoromethyl)chromen-4-ylidene]-N-phenylacetamide is sourced from PubChem (CID 101349181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).