(Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide

C18H15ClN4O — CID 58503667

IUPAC(Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide
SMILESCN(C(=O)/C=C\c1nc(-c2cccc(Cl)c2)n[nH]1)c1ccccc1
InChIInChI=1S/C18H15ClN4O/c1-23(15-8-3-2-4-9-15)17(24)11-10-16-20-18(22-21-16)13-6-5-7-14(19)12-13/h2-12H,1H3,(H,20,21,22)/b11-10-
InChIKeyTYERJYCMQKILHA-KHPPLWFESA-N
MW338.80 g/mol
LogP3.80
Rot. Bonds4

About (Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide

(Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide (PubChem CID 58503667) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is (Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide
PubChem CID58503667
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC Name(Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide
SMILESCN(C(=O)/C=C\c1nc(-c2cccc(Cl)c2)n[nH]1)c1ccccc1
InChIInChI=1S/C18H15ClN4O/c1-23(15-8-3-2-4-9-15)17(24)11-10-16-20-18(22-21-16)13-6-5-7-14(19)12-13/h2-12H,1H3,(H,20,21,22)/b11-10-
InChIKeyTYERJYCMQKILHA-KHPPLWFESA-N
XLogP3.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide?
The IUPAC name of (Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide (CID 58503667) is (Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide.
What is the SMILES notation for (Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide?
The canonical SMILES for (Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide is CN(C(=O)/C=C\c1nc(-c2cccc(Cl)c2)n[nH]1)c1ccccc1.
What is the InChIKey of (Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide?
The InChIKey is TYERJYCMQKILHA-KHPPLWFESA-N. The full InChI is InChI=1S/C18H15ClN4O/c1-23(15-8-3-2-4-9-15)17(24)11-10-16-20-18(22-21-16)13-6-5-7-14(19)12-13/h2-12H,1H3,(H,20,21,22)/b11-10-.
What are the key properties of (Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide?
(Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide has a molecular weight of 338.80 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-(3-chlorophenyl)-1H-1,2,4-triazol-5-yl]-N-methyl-N-phenylprop-2-enamide is sourced from PubChem (CID 58503667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).