2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide

C10H9ClN2O3 — CID 3159245

IUPAC2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
SMILESCn1c(=O)oc2cc(NC(=O)CCl)ccc21
InChIInChI=1S/C10H9ClN2O3/c1-13-7-3-2-6(12-9(14)5-11)4-8(7)16-10(13)15/h2-4H,5H2,1H3,(H,12,14)
InChIKeySNGWSYYOWYICSB-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.31
Rot. Bonds2

About 2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide

2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide (PubChem CID 3159245) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
PubChem CID3159245
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
SMILESCn1c(=O)oc2cc(NC(=O)CCl)ccc21
InChIInChI=1S/C10H9ClN2O3/c1-13-7-3-2-6(12-9(14)5-11)4-8(7)16-10(13)15/h2-4H,5H2,1H3,(H,12,14)
InChIKeySNGWSYYOWYICSB-UHFFFAOYSA-N
XLogP1.31
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.31
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

2-Chloro-2',5'-dimethoxyacetanilide
CID 30961
3-(2-oxo-1,3-benzoxazol-3(2H)-yl)propanamide
CID 825415
6-Amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
CID 6486006
2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)-N-propylacetamide
CID 3669812
Valeranilide, 2-chloro-3'-hydroxy-, methylcarbamate (ester)
CID 99809
1-(4-Amino-2-methoxyphenyl)pyrrolidin-2-one
CID 13062329
N-(3-methoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
CID 775853
N-(2,5-dimethoxyphenyl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide
CID 1096303
2-chloro-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 3159246
2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 25258246
N-[3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-2-oxo-1,3-benzoxazol-6-yl]acetamide
CID 58511887
Urea, (5-chloro-2,3-dihydro-3-methyl-2-oxo-6-benzoxazolyl)-
CID 100730

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide?
The IUPAC name of 2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide (CID 3159245) is 2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide?
The canonical SMILES for 2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide is Cn1c(=O)oc2cc(NC(=O)CCl)ccc21.
What is the InChIKey of 2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide?
The InChIKey is SNGWSYYOWYICSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-13-7-3-2-6(12-9(14)5-11)4-8(7)16-10(13)15/h2-4H,5H2,1H3,(H,12,14).
What are the key properties of 2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide?
2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide has a molecular weight of 240.65 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide is sourced from PubChem (CID 3159245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).