N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide

C16H12Cl2FN5O2 — CID 156798054

IUPACN-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide
SMILESO=C(Cn1ncn(-c2ccc(F)cn2)c1=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2FN5O2/c17-12-3-1-10(5-13(12)18)6-21-15(25)8-24-16(26)23(9-22-24)14-4-2-11(19)7-20-14/h1-5,7,9H,6,8H2,(H,21,25)
InChIKeyLBMDZXAEOBWFNW-UHFFFAOYSA-N
MW396.21 g/mol
LogP2.19
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide

N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide (PubChem CID 156798054) has the molecular formula C16H12Cl2FN5O2 and a molecular weight of 396.21 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide
PubChem CID156798054
Molecular FormulaC16H12Cl2FN5O2
Molecular Weight396.21 g/mol
Exact Mass395.04
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide
SMILESO=C(Cn1ncn(-c2ccc(F)cn2)c1=O)NCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H12Cl2FN5O2/c17-12-3-1-10(5-13(12)18)6-21-15(25)8-24-16(26)23(9-22-24)14-4-2-11(19)7-20-14/h1-5,7,9H,6,8H2,(H,21,25)
InChIKeyLBMDZXAEOBWFNW-UHFFFAOYSA-N
XLogP2.19
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide with MolForge

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Related Compounds

N-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 156527748
N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 156798088
N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(5-chloro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 156528178
N-[(4-chloro-3-fluorophenyl)methyl]-2-[5-oxo-4-[(3R)-oxolan-3-yl]-1,2,4-triazol-1-yl]acetamide
CID 156798109
N-[(4-chloro-3-fluorophenyl)methyl]-2-(3-cyclopropyl-4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 156798078
2-(4-chloroindazol-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 22510045
2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane
CID 156797994
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40603897
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
N-[(3,4-dichlorophenyl)methyl]-2-[(3-fluorophenyl)methylsulfanyl]acetamide
CID 3379552
N-[(4-chlorophenyl)methyl]-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279329
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 91888369

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide (CID 156798054) is N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide is O=C(Cn1ncn(-c2ccc(F)cn2)c1=O)NCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide?
The InChIKey is LBMDZXAEOBWFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN5O2/c17-12-3-1-10(5-13(12)18)6-21-15(25)8-24-16(26)23(9-22-24)14-4-2-11(19)7-20-14/h1-5,7,9H,6,8H2,(H,21,25).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide?
N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide has a molecular weight of 396.21 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 156798054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).