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

C12H13ClN2O3 — CID 115162152

IUPAC2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide
SMILESCn1c(=O)oc2cc(CCNC(=O)CCl)ccc21
InChIInChI=1S/C12H13ClN2O3/c1-15-9-3-2-8(4-5-14-11(16)7-13)6-10(9)18-12(15)17/h2-3,6H,4-5,7H2,1H3,(H,14,16)
InChIKeyHJTZHUKQPREJPP-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.03
Rot. Bonds4

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

2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide (PubChem CID 115162152) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide
PubChem CID115162152
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide
SMILESCn1c(=O)oc2cc(CCNC(=O)CCl)ccc21
InChIInChI=1S/C12H13ClN2O3/c1-15-9-3-2-8(4-5-14-11(16)7-13)6-10(9)18-12(15)17/h2-3,6H,4-5,7H2,1H3,(H,14,16)
InChIKeyHJTZHUKQPREJPP-UHFFFAOYSA-N
XLogP1.03
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.03
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-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110792130
3-chloro-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]propanamide
CID 115162532
1-benzyl-3-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]urea
CID 110776292
1-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-3-phenylurea
CID 110776289
3-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]benzamide
CID 110792162
2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide
CID 116843407
3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]-3-oxopropanoic acid
CID 115163423
N'-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanehydrazide
CID 116846543
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 110792263
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]pyridine-3-carboxamide
CID 110792165
3,3-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786656
N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]-1,3-thiazolidine-4-carboxamide
CID 110796288

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide (CID 115162152) is 2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide is Cn1c(=O)oc2cc(CCNC(=O)CCl)ccc21.
What is the InChIKey of 2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide?
The InChIKey is HJTZHUKQPREJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-15-9-3-2-8(4-5-14-11(16)7-13)6-10(9)18-12(15)17/h2-3,6H,4-5,7H2,1H3,(H,14,16).
What are the key properties of 2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide?
2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide has a molecular weight of 268.70 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)ethyl]acetamide is sourced from PubChem (CID 115162152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).