2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide

C19H19ClFN5O2 — CID 155789618

IUPAC2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
SMILESCCn1nc(-c2ccc(Cl)c(F)c2)nc1CC(=O)NCc1ccc(OC)nc1
InChIInChI=1S/C19H19ClFN5O2/c1-3-26-16(24-19(25-26)13-5-6-14(20)15(21)8-13)9-17(27)22-10-12-4-7-18(28-2)23-11-12/h4-8,11H,3,9-10H2,1-2H3,(H,22,27)
InChIKeyCXJHNRGJJGGKHG-UHFFFAOYSA-N
MW403.85 g/mol
LogP3.02
Rot. Bonds7

About 2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide

2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide (PubChem CID 155789618) has the molecular formula C19H19ClFN5O2 and a molecular weight of 403.85 g/mol. Its IUPAC name is 2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
PubChem CID155789618
Molecular FormulaC19H19ClFN5O2
Molecular Weight403.85 g/mol
Exact Mass403.12
IUPAC Name2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
SMILESCCn1nc(-c2ccc(Cl)c(F)c2)nc1CC(=O)NCc1ccc(OC)nc1
InChIInChI=1S/C19H19ClFN5O2/c1-3-26-16(24-19(25-26)13-5-6-14(20)15(21)8-13)9-17(27)22-10-12-4-7-18(28-2)23-11-12/h4-8,11H,3,9-10H2,1-2H3,(H,22,27)
InChIKeyCXJHNRGJJGGKHG-UHFFFAOYSA-N
XLogP3.02
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.85
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide with MolForge

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Related Compounds

2-[5-(4-chloro-3-fluorophenyl)-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-N-[(2,6-dimethyl-4-pyridinyl)methyl]acetamide
CID 155789667
2-(2,4-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51303949
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
3-chloro-4,5-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51305940
3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide
CID 51305983
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
2-[5-(4-chloro-3-methylphenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 155789659
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
4-(5-chloroindol-1-yl)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
CID 91646463
2,5-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136692
2,4-difluoro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 47136619
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide (CID 155789618) is 2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide is CCn1nc(-c2ccc(Cl)c(F)c2)nc1CC(=O)NCc1ccc(OC)nc1.
What is the InChIKey of 2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide?
The InChIKey is CXJHNRGJJGGKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN5O2/c1-3-26-16(24-19(25-26)13-5-6-14(20)15(21)8-13)9-17(27)22-10-12-4-7-18(28-2)23-11-12/h4-8,11H,3,9-10H2,1-2H3,(H,22,27).
What are the key properties of 2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide?
2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 403.85 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-N-[(6-methoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 155789618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).