N-(benzotriazol-1-yl)-2-chloroacetamide

C8H7ClN4O — CID 69222280

IUPACN-(benzotriazol-1-yl)-2-chloroacetamide
SMILESO=C(CCl)Nn1nnc2ccccc21
InChIInChI=1S/C8H7ClN4O/c9-5-8(14)11-13-7-4-2-1-3-6(7)10-12-13/h1-4H,5H2,(H,11,14)
InChIKeyVSZIVGPCWXIELW-UHFFFAOYSA-N
MW210.62 g/mol
LogP0.74
Rot. Bonds2

About N-(benzotriazol-1-yl)-2-chloroacetamide

N-(benzotriazol-1-yl)-2-chloroacetamide (PubChem CID 69222280) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is N-(benzotriazol-1-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(benzotriazol-1-yl)-2-chloroacetamide
PubChem CID69222280
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC NameN-(benzotriazol-1-yl)-2-chloroacetamide
SMILESO=C(CCl)Nn1nnc2ccccc21
InChIInChI=1S/C8H7ClN4O/c9-5-8(14)11-13-7-4-2-1-3-6(7)10-12-13/h1-4H,5H2,(H,11,14)
InChIKeyVSZIVGPCWXIELW-UHFFFAOYSA-N
XLogP0.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(benzotriazol-1-yl)-4-trimethoxysilylbutanamide
CID 174143879
N-(benzotriazol-1-yl)-3-(tetrazol-1-yl)propanamide
CID 9429890
ethyl N-(benzotriazol-1-yl)carbamate
CID 71192391
10-(benzotriazol-1-ylamino)decanoic acid
CID 155568237
N-(benzotriazol-1-yl)-3-bromobenzamide
CID 171984668
N-ethylbenzotriazol-1-amine
CID 89402621
argon;1-hydroxybenzotriazole
CID 87516361
N-(benzotriazol-1-ylmethyl)propanamide
CID 3767707
1-hydroxybenzotriazole;methanesulfonic acid
CID 23179795
N-(benzotriazol-1-ylmethyl)pyrimidin-2-amine
CID 3696751
2-(benzotriazol-1-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 10377301
2-(benzotriazol-1-yloxy)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 7668572

Frequently Asked Questions

What is the IUPAC name of N-(benzotriazol-1-yl)-2-chloroacetamide?
The IUPAC name of N-(benzotriazol-1-yl)-2-chloroacetamide (CID 69222280) is N-(benzotriazol-1-yl)-2-chloroacetamide.
What is the SMILES notation for N-(benzotriazol-1-yl)-2-chloroacetamide?
The canonical SMILES for N-(benzotriazol-1-yl)-2-chloroacetamide is O=C(CCl)Nn1nnc2ccccc21.
What is the InChIKey of N-(benzotriazol-1-yl)-2-chloroacetamide?
The InChIKey is VSZIVGPCWXIELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c9-5-8(14)11-13-7-4-2-1-3-6(7)10-12-13/h1-4H,5H2,(H,11,14).
What are the key properties of N-(benzotriazol-1-yl)-2-chloroacetamide?
N-(benzotriazol-1-yl)-2-chloroacetamide has a molecular weight of 210.62 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzotriazol-1-yl)-2-chloroacetamide is sourced from PubChem (CID 69222280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).