N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide

C14H14ClFN4O2 — CID 156798088

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1ncn(C2CC2)c1=O)NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H14ClFN4O2/c15-11-4-1-9(5-12(11)16)6-17-13(21)7-20-14(22)19(8-18-20)10-2-3-10/h1,4-5,8,10H,2-3,6-7H2,(H,17,21)
InChIKeyUCEYXITUTRKUAZ-UHFFFAOYSA-N
MW324.74 g/mol
LogP1.49
Rot. Bonds5

About N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide

N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide (PubChem CID 156798088) has the molecular formula C14H14ClFN4O2 and a molecular weight of 324.74 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide
PubChem CID156798088
Molecular FormulaC14H14ClFN4O2
Molecular Weight324.74 g/mol
Exact Mass324.08
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide
SMILESO=C(Cn1ncn(C2CC2)c1=O)NCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H14ClFN4O2/c15-11-4-1-9(5-12(11)16)6-17-13(21)7-20-14(22)19(8-18-20)10-2-3-10/h1,4-5,8,10H,2-3,6-7H2,(H,17,21)
InChIKeyUCEYXITUTRKUAZ-UHFFFAOYSA-N
XLogP1.49
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.74
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
N-[(4-chloro-3-fluorophenyl)methyl]-2-[4-(1-methylpyrazol-4-yl)-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 156527748
2-(4-cyclopropyl-5-oxotetrazol-1-yl)-N-[(3,4-dichlorophenyl)methyl]acetamide;ethane
CID 156797994
N-[(3,4-dichlorophenyl)methyl]-2-[4-(5-fluoro-2-pyridinyl)-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 156798054
N-[(4-chloro-3-methylphenyl)methyl]-2-[4-cyclopropyl-5-oxo-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-1,2,4-triazol-1-yl]acetamide
CID 156798114
2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[(2,5-dichlorophenyl)methyl]acetamide
CID 58011897
N-benzyl-2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 58011772
2-[3-(2-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 58011770
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 91888369
N-[(3-chloro-4-fluorophenyl)methyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857585
N-[(4-chlorophenyl)methyl]-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279329

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide (CID 156798088) is N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide is O=C(Cn1ncn(C2CC2)c1=O)NCc1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
The InChIKey is UCEYXITUTRKUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN4O2/c15-11-4-1-9(5-12(11)16)6-17-13(21)7-20-14(22)19(8-18-20)10-2-3-10/h1,4-5,8,10H,2-3,6-7H2,(H,17,21).
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide?
N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide has a molecular weight of 324.74 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-2-(4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 156798088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).