2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide

C17H15ClN2O4 — CID 9145207

IUPAC2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
SMILESC[C@@H]1Oc2ccc(NC(=O)COc3ccccc3Cl)cc2NC1=O
InChIInChI=1S/C17H15ClN2O4/c1-10-17(22)20-13-8-11(6-7-15(13)24-10)19-16(21)9-23-14-5-3-2-4-12(14)18/h2-8,10H,9H2,1H3,(H,19,21)(H,20,22)/t10-/m0/s1
InChIKeyVKHDGMBLFJVOEQ-JTQLQIEISA-N
MW346.77 g/mol
LogP3.08
Rot. Bonds4

About 2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide

2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide (PubChem CID 9145207) has the molecular formula C17H15ClN2O4 and a molecular weight of 346.77 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
PubChem CID9145207
Molecular FormulaC17H15ClN2O4
Molecular Weight346.77 g/mol
Exact Mass346.07
IUPAC Name2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
SMILESC[C@@H]1Oc2ccc(NC(=O)COc3ccccc3Cl)cc2NC1=O
InChIInChI=1S/C17H15ClN2O4/c1-10-17(22)20-13-8-11(6-7-15(13)24-10)19-16(21)9-23-14-5-3-2-4-12(14)18/h2-8,10H,9H2,1H3,(H,19,21)(H,20,22)/t10-/m0/s1
InChIKeyVKHDGMBLFJVOEQ-JTQLQIEISA-N
XLogP3.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145011
2-(2-methoxyphenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145221
2-(2-chloro-5-methylphenoxy)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145341
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-(2-propan-2-ylphenoxy)acetamide
CID 9145489
2-(2-bromo-4-methylphenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9146835
2-benzhydryloxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 46616642
2-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)phenoxy]-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 46969168
2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145610
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-propoxybenzamide
CID 35574928
2-(5-chloro-2-methoxyphenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9147824
2-butoxy-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzamide
CID 35574920
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide (CID 9145207) is 2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide is C[C@@H]1Oc2ccc(NC(=O)COc3ccccc3Cl)cc2NC1=O.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?
The InChIKey is VKHDGMBLFJVOEQ-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15ClN2O4/c1-10-17(22)20-13-8-11(6-7-15(13)24-10)19-16(21)9-23-14-5-3-2-4-12(14)18/h2-8,10H,9H2,1H3,(H,19,21)(H,20,22)/t10-/m0/s1.
What are the key properties of 2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide?
2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide has a molecular weight of 346.77 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide is sourced from PubChem (CID 9145207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).