2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide

C14H11ClN4O — CID 3398980

IUPAC2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN4O/c15-10-4-3-5-11(8-10)16-14(20)9-19-13-7-2-1-6-12(13)17-18-19/h1-8H,9H2,(H,16,20)
InChIKeyYKPILQYKTOXPJC-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.72
Rot. Bonds3

About 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide

2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide (PubChem CID 3398980) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide
PubChem CID3398980
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN4O/c15-10-4-3-5-11(8-10)16-14(20)9-19-13-7-2-1-6-12(13)17-18-19/h1-8H,9H2,(H,16,20)
InChIKeyYKPILQYKTOXPJC-UHFFFAOYSA-N
XLogP2.72
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(m-tolyl)acetamide
CID 863021
1-(3-Chloro-phenyl)-3-(1-methyl-1H-benzotriazol-5-yl)-urea
CID 893344
2-(1H-benzo[d][1,2,3]triazol-1-yl)-N-(p-tolyl)acetamide
CID 733624
2-(1H-1,2,3-benzotriazol-1-yl)acetohydrazide
CID 3859328
2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide
CID 156907083
2-Benzotriazol-1-yl-N-(3-chloro-4-fluoro-phenyl)-N-[(2-methoxy-ethylcarbamoyl)-methyl]-acetamide
CID 648316
2-Benzotriazol-1-yl-N-cyclohexyl-acetamide
CID 648490
2-(1H-1,2,3-benzotriazol-1-yl)-N-benzylacetamide
CID 733623
2-(1H-1,2,3-benzotriazol-1-yl)-N-(2-methylphenyl)acetamide
CID 863036
2-benzotriazolyl-N-(2-nitrophenyl)acetamide
CID 3165284
CHO-MSK-00c5269a-1
CID 156906974
Mat-pos-06036648-5
CID 156907123

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide (CID 3398980) is 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide is O=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide?
The InChIKey is YKPILQYKTOXPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-10-4-3-5-11(8-10)16-14(20)9-19-13-7-2-1-6-12(13)17-18-19/h1-8H,9H2,(H,16,20).
What are the key properties of 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide?
2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide has a molecular weight of 286.72 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(3-chlorophenyl)acetamide is sourced from PubChem (CID 3398980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).