2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide

C17H16ClN5O — CID 16674422

IUPAC2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1cccc(Cl)c1)c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C17H16ClN5O/c1-11(20-15(24)10-12-3-2-4-14(18)9-12)16-21-17(23-22-16)13-5-7-19-8-6-13/h2-9,11H,10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyJZCDTJRLJJGANH-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.94
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 16674422) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID16674422
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)Cc1cccc(Cl)c1)c1nc(-c2ccncc2)n[nH]1
InChIInChI=1S/C17H16ClN5O/c1-11(20-15(24)10-12-3-2-4-14(18)9-12)16-21-17(23-22-16)13-5-7-19-8-6-13/h2-9,11H,10H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyJZCDTJRLJJGANH-UHFFFAOYSA-N
XLogP2.94
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[(1S)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]urea
CID 7451545
2-chloro-N-[(1R)-1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 7451552
2-hydroxy-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 143616095
3-cyclopentyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 16672583
1-(4-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]cyclobutane-1-carboxamide
CID 16674426
2-(3-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 133202355
2-methyl-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]-1-benzofuran-5-carboxamide
CID 46963211
N-[1-(3-aminophenyl)ethyl]-2-(3-chlorophenyl)acetamide
CID 62504759
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenyl)acetamide;hydrochloride
CID 120505616
3-[5-[1-(3-chlorophenoxy)ethyl]-1H-1,2,4-triazol-3-yl]pyridine
CID 50985030
[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] pyridine-4-carboxylate
CID 7478194
(2S,3R)-2-[[2-(3-chlorophenyl)acetyl]amino]-3-hydroxybutanoic acid
CID 94460369

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 16674422) is 2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide is CC(NC(=O)Cc1cccc(Cl)c1)c1nc(-c2ccncc2)n[nH]1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is JZCDTJRLJJGANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11(20-15(24)10-12-3-2-4-14(18)9-12)16-21-17(23-22-16)13-5-7-19-8-6-13/h2-9,11H,10H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 341.80 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[1-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 16674422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).