N-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide

C8H6ClN3O2 — CID 166432071

IUPACN-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide
SMILESO=C(CCl)Nc1ccc2nonc2c1
InChIInChI=1S/C8H6ClN3O2/c9-4-8(13)10-5-1-2-6-7(3-5)12-14-11-6/h1-3H,4H2,(H,10,13)
InChIKeyVMYYXBWPEVYFKC-UHFFFAOYSA-N
MW211.61 g/mol
LogP1.40
Rot. Bonds2

About N-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide

N-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide (PubChem CID 166432071) has the molecular formula C8H6ClN3O2 and a molecular weight of 211.61 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide
PubChem CID166432071
Molecular FormulaC8H6ClN3O2
Molecular Weight211.61 g/mol
Exact Mass211.01
IUPAC NameN-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide
SMILESO=C(CCl)Nc1ccc2nonc2c1
InChIInChI=1S/C8H6ClN3O2/c9-4-8(13)10-5-1-2-6-7(3-5)12-14-11-6/h1-3H,4H2,(H,10,13)
InChIKeyVMYYXBWPEVYFKC-UHFFFAOYSA-N
XLogP1.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.61
LogP ≤ 51.40
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

1,3-bis(2,1,3-benzoxadiazol-5-yl)urea
CID 69090481
1-(2,1,3-benzoxadiazol-5-yl)-3-(3,5-dichlorophenyl)urea
CID 167797088
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
2-chloro-N-quinolin-6-ylacetamide
CID 3144388
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 86022306
2-chloro-N-[3-chloro-4-[(2-chloroacetyl)amino]phenyl]acetamide
CID 4608777
2-[2,1,3-benzoxadiazol-5-ylmethyl(methyl)amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 135108522
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
2-chloro-N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683555
2-chloro-N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]acetamide
CID 91683535
N-[4-[2-(2,1,3-benzoxadiazol-5-ylmethylamino)-2-oxoethyl]phenyl]butanamide
CID 46990871
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide (CID 166432071) is N-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide is O=C(CCl)Nc1ccc2nonc2c1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide?
The InChIKey is VMYYXBWPEVYFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3O2/c9-4-8(13)10-5-1-2-6-7(3-5)12-14-11-6/h1-3H,4H2,(H,10,13).
What are the key properties of N-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide?
N-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide has a molecular weight of 211.61 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-yl)-2-chloroacetamide is sourced from PubChem (CID 166432071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).