2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide

C18H19ClN4O3 — CID 70718190

IUPAC2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)Cn2c(C)nn(-c3ccc(Cl)cc3)c2=O)o1
InChIInChI=1S/C18H19ClN4O3/c1-12-3-8-16(26-12)9-10-20-17(24)11-22-13(2)21-23(18(22)25)15-6-4-14(19)5-7-15/h3-8H,9-11H2,1-2H3,(H,20,24)
InChIKeyVXAWBCVRVHZWQR-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.26
Rot. Bonds6

About 2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide

2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide (PubChem CID 70718190) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide
PubChem CID70718190
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide
SMILESCc1ccc(CCNC(=O)Cn2c(C)nn(-c3ccc(Cl)cc3)c2=O)o1
InChIInChI=1S/C18H19ClN4O3/c1-12-3-8-16(26-12)9-10-20-17(24)11-22-13(2)21-23(18(22)25)15-6-4-14(19)5-7-15/h3-8H,9-11H2,1-2H3,(H,20,24)
InChIKeyVXAWBCVRVHZWQR-UHFFFAOYSA-N
XLogP2.26
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(4-chlorophenyl)-5-oxo-3-phenyl-1,2,4-triazol-4-yl]-N-propylacetamide
CID 70784155
N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 110872482
3-chloro-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 115162657
2-[2-(4-chlorophenyl)-7-methyl-4-oxo-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 22575381
N-[2-(4-chlorophenyl)ethyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 27646584
3-(5-methylfuran-2-yl)-N-[3-[3-(5-methylfuran-2-yl)propanoylamino]propyl]propanamide
CID 4780000
2-amino-4-[2-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 115181165
1-[1-(4-chlorophenyl)-3-methyl-4-(propanoylamino)pyrazol-5-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46358687
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-5-oxo-1-phenyl-1,2,4-triazol-4-yl)acetamide
CID 70745382
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 70720397
2-[3-methyl-1-(3-methylphenyl)-5-oxo-1,2,4-triazol-4-yl]-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 70727599
1-[2-(5-methylfuran-2-yl)ethylamino]propan-2-one
CID 115235079

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide (CID 70718190) is 2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide is Cc1ccc(CCNC(=O)Cn2c(C)nn(-c3ccc(Cl)cc3)c2=O)o1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide?
The InChIKey is VXAWBCVRVHZWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-12-3-8-16(26-12)9-10-20-17(24)11-22-13(2)21-23(18(22)25)15-6-4-14(19)5-7-15/h3-8H,9-11H2,1-2H3,(H,20,24).
What are the key properties of 2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide?
2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide has a molecular weight of 374.83 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-3-methyl-5-oxo-1,2,4-triazol-4-yl]-N-[2-(5-methylfuran-2-yl)ethyl]acetamide is sourced from PubChem (CID 70718190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).