N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide

C18H17Cl2FN4O2 — CID 156528269

IUPACN-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide
SMILESC[C@H](NC(=O)CN1N=CN(c2ccc(Cl)cc2)C1O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H17Cl2FN4O2/c1-11(12-2-7-15(20)16(21)8-12)23-17(26)9-25-18(27)24(10-22-25)14-5-3-13(19)4-6-14/h2-8,10-11,18,27H,9H2,1H3,(H,23,26)/t11-,18?/m0/s1
InChIKeyABVMSDWWJHYXMH-FAQQKDIKSA-N
MW411.26 g/mol
LogP3.35
Rot. Bonds5

About N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide

N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide (PubChem CID 156528269) has the molecular formula C18H17Cl2FN4O2 and a molecular weight of 411.26 g/mol. Its IUPAC name is N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide
PubChem CID156528269
Molecular FormulaC18H17Cl2FN4O2
Molecular Weight411.26 g/mol
Exact Mass410.07
IUPAC NameN-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide
SMILESC[C@H](NC(=O)CN1N=CN(c2ccc(Cl)cc2)C1O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C18H17Cl2FN4O2/c1-11(12-2-7-15(20)16(21)8-12)23-17(26)9-25-18(27)24(10-22-25)14-5-3-13(19)4-6-14/h2-8,10-11,18,27H,9H2,1H3,(H,23,26)/t11-,18?/m0/s1
InChIKeyABVMSDWWJHYXMH-FAQQKDIKSA-N
XLogP3.35
TPSA68.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]acetamide
CID 156527982
1-[1-(4-chloro-3-fluorophenyl)ethyl]-3-[1-(4-chlorophenyl)-2-(dimethylamino)ethyl]urea
CID 167941647
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-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(5-fluoro-3-methyl-2-pyridinyl)-5-oxotetrazol-1-yl]acetamide
CID 156798002
2-bromo-N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]propanamide
CID 149125323
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-cyclopropyl-3-(4-fluorophenyl)-2-methyl-5-oxo-1,2,4-triazolidin-1-yl]acetamide
CID 156798018
N-[1-(4-chlorophenyl)ethyl]-3-oxobutanamide
CID 18072303
N-[(1R)-1-(4-chloro-3-fluorophenyl)ethyl]hydroxylamine
CID 130054500
N-[1-(4-chloro-3-fluorophenyl)ethyl]propan-2-amine
CID 59146352
(2R)-2-[1-(4-chloro-3-fluorophenyl)ethylamino]propan-1-ol
CID 114987165
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide?
The IUPAC name of N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide (CID 156528269) is N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide.
What is the SMILES notation for N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide?
The canonical SMILES for N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide is C[C@H](NC(=O)CN1N=CN(c2ccc(Cl)cc2)C1O)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide?
The InChIKey is ABVMSDWWJHYXMH-FAQQKDIKSA-N. The full InChI is InChI=1S/C18H17Cl2FN4O2/c1-11(12-2-7-15(20)16(21)8-12)23-17(26)9-25-18(27)24(10-22-25)14-5-3-13(19)4-6-14/h2-8,10-11,18,27H,9H2,1H3,(H,23,26)/t11-,18?/m0/s1.
What are the key properties of N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide?
N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide has a molecular weight of 411.26 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chloro-3-fluorophenyl)ethyl]-2-[4-(4-chlorophenyl)-3-hydroxy-3H-1,2,4-triazol-2-yl]acetamide is sourced from PubChem (CID 156528269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).