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

C14H16Cl2N4O — CID 51088394

IUPACN-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cncn1
InChIInChI=1S/C14H16Cl2N4O/c1-10(2)20(14(21)7-19-9-17-8-18-19)6-11-3-4-12(15)13(16)5-11/h3-5,8-10H,6-7H2,1-2H3
InChIKeyTWELAPVOZVQFDQ-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.02
Rot. Bonds5

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

N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 51088394) has the molecular formula C14H16Cl2N4O and a molecular weight of 327.22 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID51088394
Molecular FormulaC14H16Cl2N4O
Molecular Weight327.22 g/mol
Exact Mass326.07
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide
SMILESCC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cncn1
InChIInChI=1S/C14H16Cl2N4O/c1-10(2)20(14(21)7-19-9-17-8-18-19)6-11-3-4-12(15)13(16)5-11/h3-5,8-10H,6-7H2,1-2H3
InChIKeyTWELAPVOZVQFDQ-UHFFFAOYSA-N
XLogP3.02
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide (CID 51088394) is N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide is CC(C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cncn1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is TWELAPVOZVQFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O/c1-10(2)20(14(21)7-19-9-17-8-18-19)6-11-3-4-12(15)13(16)5-11/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide?
N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 327.22 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-propan-2-yl-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 51088394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).