(Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide

C12H10F3N5O — CID 75533888

IUPAC(Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide
SMILESC/C(=C/C(=O)Nc1nn[nH]n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N5O/c1-7(5-10(21)16-11-17-19-20-18-11)8-3-2-4-9(6-8)12(13,14)15/h2-6H,1H3,(H2,16,17,18,19,20,21)/b7-5-
InChIKeyOXOZNLSIIYJRLE-ALCCZGGFSA-N
MW297.24 g/mol
LogP2.26
Rot. Bonds3

About (Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide

(Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide (PubChem CID 75533888) has the molecular formula C12H10F3N5O and a molecular weight of 297.24 g/mol. Its IUPAC name is (Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide
PubChem CID75533888
Molecular FormulaC12H10F3N5O
Molecular Weight297.24 g/mol
Exact Mass297.08
IUPAC Name(Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide
SMILESC/C(=C/C(=O)Nc1nn[nH]n1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H10F3N5O/c1-7(5-10(21)16-11-17-19-20-18-11)8-3-2-4-9(6-8)12(13,14)15/h2-6H,1H3,(H2,16,17,18,19,20,21)/b7-5-
InChIKeyOXOZNLSIIYJRLE-ALCCZGGFSA-N
XLogP2.26
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide
CID 71870789
N-(1-methylsulfonylpropan-2-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide
CID 71994715
4-[[(4-tert-butylcyclohexyl)-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]methyl]-N-(2H-tetrazol-5-yl)benzamide
CID 23550059
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 54704246
ethyl 5-[[3-(trifluoromethyl)benzoyl]amino]thiadiazole-4-carboxylate
CID 155256709
(Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 177472811
(Z)-3-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]but-2-en-1-one
CID 67946359
2-methylprop-2-enyl 3-(trifluoromethyl)benzoate
CID 78789073
2-methyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 79190473
5-methoxy-6-methyl-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenoxy]-1-benzothiophene-2-carboxamide
CID 91155921
N-(1H-pyrazol-4-yl)-3-(trifluoromethyl)benzamide
CID 43429418

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide?
The IUPAC name of (Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide (CID 75533888) is (Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide.
What is the SMILES notation for (Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide?
The canonical SMILES for (Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide is C/C(=C/C(=O)Nc1nn[nH]n1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide?
The InChIKey is OXOZNLSIIYJRLE-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H10F3N5O/c1-7(5-10(21)16-11-17-19-20-18-11)8-3-2-4-9(6-8)12(13,14)15/h2-6H,1H3,(H2,16,17,18,19,20,21)/b7-5-.
What are the key properties of (Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide?
(Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide has a molecular weight of 297.24 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2H-tetrazol-5-yl)-3-[3-(trifluoromethyl)phenyl]but-2-enamide is sourced from PubChem (CID 75533888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).