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

C19H17FN4O — CID 31917654

IUPAC(E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCCn1cnnc1-c1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C19H17FN4O/c1-2-24-13-21-23-19(24)15-4-3-5-17(12-15)22-18(25)11-8-14-6-9-16(20)10-7-14/h3-13H,2H2,1H3,(H,22,25)/b11-8+
InChIKeyKDIGNOAQVKUCOC-DHZHZOJOSA-N
MW336.37 g/mol
LogP3.76
Rot. Bonds5

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

(E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 31917654) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is (E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
PubChem CID31917654
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name(E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide
SMILESCCn1cnnc1-c1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1
InChIInChI=1S/C19H17FN4O/c1-2-24-13-21-23-19(24)15-4-3-5-17(12-15)22-18(25)11-8-14-6-9-16(20)10-7-14/h3-13H,2H2,1H3,(H,22,25)/b11-8+
InChIKeyKDIGNOAQVKUCOC-DHZHZOJOSA-N
XLogP3.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
(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-(4-ethyl-1,2,4-triazol-3-yl)phenyl]prop-2-enamide
CID 32577241
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3,5-difluorobenzamide
CID 32572893
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-2,4-difluorobenzamide
CID 32581867
(E)-N-(3-acetamidophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 2671059
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
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]-6-methylpyridine-3-carboxamide
CID 32577899
(E)-3-(4-fluorophenyl)-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]prop-2-enamide
CID 108933380
cis-(1S,3R)-3-[[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065292

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide (CID 31917654) is (E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide is CCn1cnnc1-c1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1.
What is the InChIKey of (E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is KDIGNOAQVKUCOC-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-2-24-13-21-23-19(24)15-4-3-5-17(12-15)22-18(25)11-8-14-6-9-16(20)10-7-14/h3-13H,2H2,1H3,(H,22,25)/b11-8+.
What are the key properties of (E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide?
(E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide has a molecular weight of 336.37 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 31917654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).