2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C12H12Cl2N4O — CID 64546984

IUPAC2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCCc1ncn[nH]1
InChIInChI=1S/C12H12Cl2N4O/c13-9-2-1-8(5-10(9)14)6-12(19)15-4-3-11-16-7-17-18-11/h1-2,5,7H,3-4,6H2,(H,15,19)(H,16,17,18)
InChIKeyXKHGZEDVYQFQTM-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.01
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 64546984) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID64546984
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCCc1ncn[nH]1
InChIInChI=1S/C12H12Cl2N4O/c13-9-2-1-8(5-10(9)14)6-12(19)15-4-3-11-16-7-17-18-11/h1-2,5,7H,3-4,6H2,(H,15,19)(H,16,17,18)
InChIKeyXKHGZEDVYQFQTM-UHFFFAOYSA-N
XLogP2.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
2-(3,4-dichlorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115649653
5-amino-2-chloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64517582
2-(2-chloro-6-fluorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64548180
3,4-dichloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64547641
2-(4-methylphenyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64548489
2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54884808
1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 127267118
3-(2-hydroxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64531621
1-(3,4-dichlorophenyl)-3-[3-(1H-1,2,4-triazol-5-yl)propyl]urea
CID 64529659
2-(2-methoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545846
2-(2,4-dimethoxyphenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64529419

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 64546984) is 2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NCCc1ncn[nH]1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is XKHGZEDVYQFQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c13-9-2-1-8(5-10(9)14)6-12(19)15-4-3-11-16-7-17-18-11/h1-2,5,7H,3-4,6H2,(H,15,19)(H,16,17,18).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 299.16 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 64546984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).