(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide

C20H18F2N4O2 — CID 32577241

IUPAC(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide
SMILESCCn1cnnc1-c1cccc(NC(=O)/C=C/c2ccccc2OC(F)F)c1
InChIInChI=1S/C20H18F2N4O2/c1-2-26-13-23-25-19(26)15-7-5-8-16(12-15)24-18(27)11-10-14-6-3-4-9-17(14)28-20(21)22/h3-13,20H,2H2,1H3,(H,24,27)/b11-10+
InChIKeyNKKVJVZVMRHPPJ-ZHACJKMWSA-N
MW384.39 g/mol
LogP4.22
Rot. Bonds7

About (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide

(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide (PubChem CID 32577241) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide
PubChem CID32577241
Molecular FormulaC20H18F2N4O2
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide
SMILESCCn1cnnc1-c1cccc(NC(=O)/C=C/c2ccccc2OC(F)F)c1
InChIInChI=1S/C20H18F2N4O2/c1-2-26-13-23-25-19(26)15-7-5-8-16(12-15)24-18(27)11-10-14-6-3-4-9-17(14)28-20(21)22/h3-13,20H,2H2,1H3,(H,24,27)/b11-10+
InChIKeyNKKVJVZVMRHPPJ-ZHACJKMWSA-N
XLogP4.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(2-fluorophenyl)prop-2-enamide
CID 31916885
(E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 31917654
(2E,4E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]hexa-2,4-dienamide
CID 32581802
(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(methylcarbamoylamino)phenyl]prop-2-enamide
CID 36824573
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-N-[3-(1-methyltetrazol-5-yl)phenyl]prop-2-enamide
CID 41359971
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,4-difluorobenzamide
CID 32581867
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-5-methylthiophene-2-carboxamide
CID 32582171
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2-(2-nitrophenoxy)acetamide
CID 32582204
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119856932
4-acetamido-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 32582091
(E)-3-(2-ethoxyphenyl)-N-(3-methylphenyl)prop-2-enamide
CID 9341691
(E)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 55615883

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide (CID 32577241) is (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide is CCn1cnnc1-c1cccc(NC(=O)/C=C/c2ccccc2OC(F)F)c1.
What is the InChIKey of (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide?
The InChIKey is NKKVJVZVMRHPPJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-2-26-13-23-25-19(26)15-7-5-8-16(12-15)24-18(27)11-10-14-6-3-4-9-17(14)28-20(21)22/h3-13,20H,2H2,1H3,(H,24,27)/b11-10+.
What are the key properties of (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide?
(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide has a molecular weight of 384.39 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 32577241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).