2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide

C12H13ClN4O — CID 126799160

IUPAC2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCn1ccnn1
InChIInChI=1S/C12H13ClN4O/c13-11-3-1-10(2-4-11)9-12(18)14-5-7-17-8-6-15-16-17/h1-4,6,8H,5,7,9H2,(H,14,18)
InChIKeyLKSMYAWQVURANQ-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.29
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide

2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide (PubChem CID 126799160) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide
PubChem CID126799160
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCn1ccnn1
InChIInChI=1S/C12H13ClN4O/c13-11-3-1-10(2-4-11)9-12(18)14-5-7-17-8-6-15-16-17/h1-4,6,8H,5,7,9H2,(H,14,18)
InChIKeyLKSMYAWQVURANQ-UHFFFAOYSA-N
XLogP1.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
2-chloro-N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 122570554
2-(5-chloro-6-methyl-1-benzofuran-3-yl)-N-[2-(triazol-1-yl)ethyl]acetamide
CID 122571090
2-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-1-yl)ethyl]acetamide
CID 110719097
2-[2-oxo-2-[3-(triazol-1-yl)propylamino]ethyl]benzoic acid
CID 104601773
benzyl N-[2-(triazol-1-yl)ethyl]carbamate
CID 130166648
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108574115
2-(4-chlorophenyl)-N-[2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]acetamide
CID 26186717
2-naphthalen-1-yl-N-[2-(triazol-1-yl)ethyl]benzamide
CID 166387441
6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 113375229
N-(3-aminopropyl)-2-(4-chlorophenyl)acetamide;hydrochloride
CID 119408603
6-oxo-N-[2-(triazol-1-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113375209

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide (CID 126799160) is 2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCCn1ccnn1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide?
The InChIKey is LKSMYAWQVURANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c13-11-3-1-10(2-4-11)9-12(18)14-5-7-17-8-6-15-16-17/h1-4,6,8H,5,7,9H2,(H,14,18).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide has a molecular weight of 264.72 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(triazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 126799160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).