N-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide

C17H22Cl2N4O — CID 131946154

IUPACN-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1nc(Cc2c(Cl)cccc2Cl)nn1C(C)C
InChIInChI=1S/C17H22Cl2N4O/c1-10(2)23-17(8-11(3)20-12(4)24)21-16(22-23)9-13-14(18)6-5-7-15(13)19/h5-7,10-11H,8-9H2,1-4H3,(H,20,24)
InChIKeyNZPZKZCZLYCXQI-UHFFFAOYSA-N
MW369.30 g/mol
LogP3.82
Rot. Bonds6

About N-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide

N-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide (PubChem CID 131946154) has the molecular formula C17H22Cl2N4O and a molecular weight of 369.30 g/mol. Its IUPAC name is N-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide
PubChem CID131946154
Molecular FormulaC17H22Cl2N4O
Molecular Weight369.30 g/mol
Exact Mass368.12
IUPAC NameN-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)Cc1nc(Cc2c(Cl)cccc2Cl)nn1C(C)C
InChIInChI=1S/C17H22Cl2N4O/c1-10(2)23-17(8-11(3)20-12(4)24)21-16(22-23)9-13-14(18)6-5-7-15(13)19/h5-7,10-11H,8-9H2,1-4H3,(H,20,24)
InChIKeyNZPZKZCZLYCXQI-UHFFFAOYSA-N
XLogP3.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-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

N-[(2S)-1-[2-(2-chlorophenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]propan-2-yl]acetamide
CID 97455345
N-[(2R)-1-[2-(2-chlorophenyl)-5-(2-methylsulfanylethyl)-1,2,4-triazol-3-yl]propan-2-yl]acetamide
CID 97455346
4-(2,6-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81009397
1-[(2S)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(2-hydroxyethyl)urea
CID 97246462
1-[2-[(2,6-dichlorophenyl)methyl]-4-methylpyrimidin-5-yl]ethanone
CID 62770130
1-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 63349427
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]acetamide
CID 130009449
1,3-dichloro-2-(3-chloro-2-methylbutyl)benzene
CID 63459849
2-[(2,6-dichlorophenyl)methyl]propanedioic acid
CID 170895382
3-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-5-[5-[(2,6-dichlorophenyl)methyl]tetrazol-2-yl]-4-oxopentanoic acid
CID 22614643
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
CID 66568204
N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 541803

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide (CID 131946154) is N-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)Cc1nc(Cc2c(Cl)cccc2Cl)nn1C(C)C.
What is the InChIKey of N-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide?
The InChIKey is NZPZKZCZLYCXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22Cl2N4O/c1-10(2)23-17(8-11(3)20-12(4)24)21-16(22-23)9-13-14(18)6-5-7-15(13)19/h5-7,10-11H,8-9H2,1-4H3,(H,20,24).
What are the key properties of N-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide?
N-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide has a molecular weight of 369.30 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(2,6-dichlorophenyl)methyl]-2-propan-2-yl-1,2,4-triazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 131946154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).