2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C11H10Cl2N4O — CID 54884808

IUPAC2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NCc1ncn[nH]1
InChIInChI=1S/C11H10Cl2N4O/c12-8-2-1-7(9(13)4-8)3-11(18)14-5-10-15-6-16-17-10/h1-2,4,6H,3,5H2,(H,14,18)(H,15,16,17)
InChIKeyCIRBIWPJAZTFML-UHFFFAOYSA-N
MW285.13 g/mol
LogP1.97
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 54884808) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID54884808
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1Cl)NCc1ncn[nH]1
InChIInChI=1S/C11H10Cl2N4O/c12-8-2-1-7(9(13)4-8)3-11(18)14-5-10-15-6-16-17-10/h1-2,4,6H,3,5H2,(H,14,18)(H,15,16,17)
InChIKeyCIRBIWPJAZTFML-UHFFFAOYSA-N
XLogP1.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54883244
4-chloro-2-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)benzoic acid
CID 64524113
N-[(4-chlorophenyl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 1226021
2-(3,4-dichlorophenyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64546984
2-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 63678962
N-[(5-chloro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]-2-(2,4-dichlorophenyl)acetamide
CID 130447855
2,6-dichloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 61041672
2-(3-methoxy-4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 54885247
6-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60983185
N-[(2,4-dichlorophenyl)methyl]-2-iodoacetamide
CID 70030657
4-chloro-3-(1H-1,2,4-triazol-5-ylmethylcarbamoylamino)benzoic acid
CID 64523735
3-bromo-4-fluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 113244827

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 54884808) is 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(Cc1ccc(Cl)cc1Cl)NCc1ncn[nH]1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is CIRBIWPJAZTFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c12-8-2-1-7(9(13)4-8)3-11(18)14-5-10-15-6-16-17-10/h1-2,4,6H,3,5H2,(H,14,18)(H,15,16,17).
What are the key properties of 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 285.13 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 54884808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).