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

C17H15ClN2O3 — CID 954220

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21
InChIInChI=1S/C17H15ClN2O3/c1-11-4-2-3-5-13(11)19-16(21)9-20-14-8-12(18)6-7-15(14)23-10-17(20)22/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyUEWJMZACWIXIME-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.01
Rot. Bonds3

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

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide (PubChem CID 954220) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide
PubChem CID954220
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21
InChIInChI=1S/C17H15ClN2O3/c1-11-4-2-3-5-13(11)19-16(21)9-20-14-8-12(18)6-7-15(14)23-10-17(20)22/h2-8H,9-10H2,1H3,(H,19,21)
InChIKeyUEWJMZACWIXIME-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Bx 471
CID 5311124
US10233177, Example 51
CID 53386424
BX-471 free base
CID 512282
PD-172760
CID 9885114
1-(2-(2-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-2-oxoethoxy)-5-chlorophenyl)-3-(2-aminoethyl)urea
CID 12112109
N-(3-chloro-2-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetamide
CID 16010817
4-(4-Chloro-benzyl)-4H-benzo[1,4]oxazin-3-one
CID 1088409
2H-1,4-Benzoxazin-3(4H)-one, 6-chloro-2-methyl-
CID 22035
3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide; oxalic acid
CID 11102013
6,7-Dichloro-4-[2-oxo-2-[3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]-1,4-benzoxazin-3-one
CID 44449106
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(4-chloro-2-nitrophenoxy)acetamide
CID 164946774
4H-1,4-Benzoxazine-4-acetamide,2,3-dihydro-N-(2-methoxy-5-methylphenyl)-6-methyl-3-oxo-(9CI)
CID 1455749

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide (CID 954220) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide?
The InChIKey is UEWJMZACWIXIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-11-4-2-3-5-13(11)19-16(21)9-20-14-8-12(18)6-7-15(14)23-10-17(20)22/h2-8H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(2-methylphenyl)acetamide has a molecular weight of 330.77 g/mol, XLogP of 3.01, 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 954220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).