N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide

C14H16Cl2N4O — CID 56822052

IUPACN-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCCC(NC(=O)Cn1cncn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N4O/c1-2-3-13(10-4-5-11(15)12(16)6-10)19-14(21)7-20-9-17-8-18-20/h4-6,8-9,13H,2-3,7H2,1H3,(H,19,21)
InChIKeyCHBLDSUBAYYQDO-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.24
Rot. Bonds6

About N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 56822052) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID56822052
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC NameN-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCCC(NC(=O)Cn1cncn1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H16Cl2N4O/c1-2-3-13(10-4-5-11(15)12(16)6-10)19-14(21)7-20-9-17-8-18-20/h4-6,8-9,13H,2-3,7H2,1H3,(H,19,21)
InChIKeyCHBLDSUBAYYQDO-UHFFFAOYSA-N
XLogP3.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-hex-1-yn-3-yl-2-(1,2,4-triazol-1-yl)acetamide
CID 103529009
1-(3,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
CID 10038017
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(3,4-dichlorophenyl)butyl]acetamide
CID 86867979
2-chloro-N-[2-[1-(3,4-dichlorophenyl)butylamino]-2-oxoethyl]-6-fluorobenzamide
CID 86899014
N-[1,2-bis(3-fluorophenyl)ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 49011755
N-[(S)-(4-chlorophenyl)-cyclopentylmethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 95288063
N-[(1S)-2-ethyl-1-thiophen-2-ylbutyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 94635884
N-[(1R)-1-(3,4-dichlorophenyl)butyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 95346590
2-methyl-6-[[2-(1,2,4-triazol-1-yl)acetyl]amino]heptanoic acid
CID 65285659
N-(3-chloro-4-hydroxyphenyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 64788698
3-[4-[[2-(1,2,4-triazol-1-yl)acetyl]amino]phenyl]butanoic acid
CID 104501823
2-[[2-(1,2,4-triazol-1-yl)acetyl]amino]propanediamide
CID 136576473

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 56822052) is N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide is CCCC(NC(=O)Cn1cncn1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is CHBLDSUBAYYQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-2-3-13(10-4-5-11(15)12(16)6-10)19-14(21)7-20-9-17-8-18-20/h4-6,8-9,13H,2-3,7H2,1H3,(H,19,21).
What are the key properties of N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 327.22 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)butyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 56822052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).