2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide

C15H17ClN2O3 — CID 23410828

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)NC1CCCC1
InChIInChI=1S/C15H17ClN2O3/c16-10-5-6-13-12(7-10)18(15(20)9-21-13)8-14(19)17-11-3-1-2-4-11/h5-7,11H,1-4,8-9H2,(H,17,19)
InChIKeyHIVPVTHMVSQCGF-UHFFFAOYSA-N
MW308.76 g/mol
LogP2.12
Rot. Bonds3

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide (PubChem CID 23410828) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
PubChem CID23410828
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide
SMILESO=C(CN1C(=O)COc2ccc(Cl)cc21)NC1CCCC1
InChIInChI=1S/C15H17ClN2O3/c16-10-5-6-13-12(7-10)18(15(20)9-21-13)8-14(19)17-11-3-1-2-4-11/h5-7,11H,1-4,8-9H2,(H,17,19)
InChIKeyHIVPVTHMVSQCGF-UHFFFAOYSA-N
XLogP2.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 43046838
4-[[2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 31158542
N-cyclohexyl-2-(6-ethylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 95917193
N-cyclopentyl-2-(7-hydroxy-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 82063564
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46970464
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(5-chloro-2-pyridinyl)acetamide
CID 6473257
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetyl chloride
CID 6494233
N-cyclopentyl-2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 20903045
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(3,5-dimethylphenyl)acetamide
CID 967788
N-butyl-2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 15995960
N-cyclohexyl-2-[3-oxo-6-(2-phenoxyacetyl)-1,4-benzoxazin-4-yl]acetamide
CID 42847182
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 98785710

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide (CID 23410828) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide is O=C(CN1C(=O)COc2ccc(Cl)cc21)NC1CCCC1.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide?
The InChIKey is HIVPVTHMVSQCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c16-10-5-6-13-12(7-10)18(15(20)9-21-13)8-14(19)17-11-3-1-2-4-11/h5-7,11H,1-4,8-9H2,(H,17,19).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide has a molecular weight of 308.76 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopentylacetamide is sourced from PubChem (CID 23410828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).