3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide

C17H23ClN4O — CID 84586418

IUPAC3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide
SMILESCCn1cnnc1CCNC(=O)C(C)(C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H23ClN4O/c1-4-22-12-20-21-15(22)8-9-19-16(23)17(2,3)11-13-6-5-7-14(18)10-13/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,19,23)
InChIKeyRFOIROOZQTZWAB-UHFFFAOYSA-N
MW334.85 g/mol
LogP2.88
Rot. Bonds7

About 3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide

3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide (PubChem CID 84586418) has the molecular formula C17H23ClN4O and a molecular weight of 334.85 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide
PubChem CID84586418
Molecular FormulaC17H23ClN4O
Molecular Weight334.85 g/mol
Exact Mass334.16
IUPAC Name3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide
SMILESCCn1cnnc1CCNC(=O)C(C)(C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H23ClN4O/c1-4-22-12-20-21-15(22)8-9-19-16(23)17(2,3)11-13-6-5-7-14(18)10-13/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,19,23)
InChIKeyRFOIROOZQTZWAB-UHFFFAOYSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-2,2-dimethylpropanamide
CID 86778739
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-2-phenylpropanamide
CID 56744729
N-[2-(4-aminophenyl)ethyl]-3-(3-chlorophenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119547992
3-chloro-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]aniline
CID 62691967
7-chloro-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]quinoline-2-carboxamide
CID 71923020
3-amino-N-[2-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119688226
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111176862
3-(3-chlorophenyl)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2,2-dimethylpropanamide
CID 111975796
1-[1-(3-chlorophenyl)ethyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]urea
CID 51081781
3-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2,2-dimethylpropanamide
CID 103813792
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide
CID 56884659
3-[(3-bromobenzoyl)amino]-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 86935598

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide (CID 84586418) is 3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide is CCn1cnnc1CCNC(=O)C(C)(C)Cc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is RFOIROOZQTZWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O/c1-4-22-12-20-21-15(22)8-9-19-16(23)17(2,3)11-13-6-5-7-14(18)10-13/h5-7,10,12H,4,8-9,11H2,1-3H3,(H,19,23).
What are the key properties of 3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide?
3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 334.85 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 84586418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).