(E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide

C11H8Cl2N4O — CID 6008904

IUPAC(E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)Nn1cnnc1
InChIInChI=1S/C11H8Cl2N4O/c12-9-2-1-3-10(13)8(9)4-5-11(18)16-17-6-14-15-7-17/h1-7H,(H,16,18)/b5-4+
InChIKeyRDVFSSHORPFMPT-SNAWJCMRSA-N
MW283.12 g/mol
LogP2.37
Rot. Bonds3

About (E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide

(E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide (PubChem CID 6008904) has the molecular formula C11H8Cl2N4O and a molecular weight of 283.12 g/mol. Its IUPAC name is (E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
PubChem CID6008904
Molecular FormulaC11H8Cl2N4O
Molecular Weight283.12 g/mol
Exact Mass282.01
IUPAC Name(E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1c(Cl)cccc1Cl)Nn1cnnc1
InChIInChI=1S/C11H8Cl2N4O/c12-9-2-1-3-10(13)8(9)4-5-11(18)16-17-6-14-15-7-17/h1-7H,(H,16,18)/b5-4+
InChIKeyRDVFSSHORPFMPT-SNAWJCMRSA-N
XLogP2.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.37
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

(Z)-3-(4-methylphenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
CID 92902021
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43388952
3-(2,6-dichlorophenyl)-N-propylprop-2-enamide
CID 2930612
(E)-3-(2,6-dichlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480917
4-oxo-4-(1,2,4-triazol-4-ylamino)but-2-enoic acid
CID 4299909
(Z)-4-(2,6-dichlorophenyl)but-3-en-2-one
CID 42556106
3-(4-nitrophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide
CID 917119
3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 5211022
N'-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]benzohydrazide
CID 9414855
3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 732081
3-(2,6-dichlorophenyl)-N-[4-[4-[3-(2,6-dichlorophenyl)prop-2-enoylamino]phenoxy]phenyl]prop-2-enamide
CID 3575829
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418447

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide (CID 6008904) is (E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide is O=C(/C=C/c1c(Cl)cccc1Cl)Nn1cnnc1.
What is the InChIKey of (E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide?
The InChIKey is RDVFSSHORPFMPT-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H8Cl2N4O/c12-9-2-1-3-10(13)8(9)4-5-11(18)16-17-6-14-15-7-17/h1-7H,(H,16,18)/b5-4+.
What are the key properties of (E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide?
(E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide has a molecular weight of 283.12 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dichlorophenyl)-N-(1,2,4-triazol-4-yl)prop-2-enamide is sourced from PubChem (CID 6008904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).