2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide

C11H11ClN4O — CID 112535389

IUPAC2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide
SMILESCn1cc(NC(=O)Cc2ccccc2Cl)nn1
InChIInChI=1S/C11H11ClN4O/c1-16-7-10(14-15-16)13-11(17)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,17)
InChIKeyZOHLUCTVFPGGCO-UHFFFAOYSA-N
MW250.69 g/mol
LogP1.65
Rot. Bonds3

About 2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide

2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide (PubChem CID 112535389) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide
PubChem CID112535389
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide
SMILESCn1cc(NC(=O)Cc2ccccc2Cl)nn1
InChIInChI=1S/C11H11ClN4O/c1-16-7-10(14-15-16)13-11(17)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,17)
InChIKeyZOHLUCTVFPGGCO-UHFFFAOYSA-N
XLogP1.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-3-(1-methyltriazol-4-yl)urea
CID 74247222
2-(4-bromophenyl)-N-(1-methyltriazol-4-yl)acetamide
CID 112535381
N-(1-methyltriazol-4-yl)-2-pyridin-3-ylacetamide
CID 112535349
N-(1-methyltriazol-4-yl)butanamide
CID 130694162
2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide
CID 71790973
ethyl N-[1-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]triazol-4-yl]carbamate
CID 112522549
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide
CID 60594734
3-chloro-N-(1-methyltriazol-4-yl)benzamide
CID 112535369
N-[1-[2-[2-(2-chlorophenyl)ethylamino]-2-oxoethyl]triazol-4-yl]-2-methylpropanamide
CID 112529458
2-(2-chlorophenyl)-N-(2-methylimidazo[1,2-a]pyridin-6-yl)acetamide
CID 110734848
2-(2-chlorophenyl)-N-[4-(tetrazol-1-yl)phenyl]acetamide
CID 8006243
N-(2-ethylphenyl)-1-methyltriazole-4-carboxamide
CID 45497225

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide (CID 112535389) is 2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide is Cn1cc(NC(=O)Cc2ccccc2Cl)nn1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide?
The InChIKey is ZOHLUCTVFPGGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-16-7-10(14-15-16)13-11(17)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,13,17).
What are the key properties of 2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide?
2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide has a molecular weight of 250.69 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide is sourced from PubChem (CID 112535389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).