2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide

C17H15ClN2O3 — CID 110778138

IUPAC2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCN1C(=O)COc2ccc(NC(=O)Cc3cccc(Cl)c3)cc21
InChIInChI=1S/C17H15ClN2O3/c1-20-14-9-13(5-6-15(14)23-10-17(20)22)19-16(21)8-11-3-2-4-12(18)7-11/h2-7,9H,8,10H2,1H3,(H,19,21)
InChIKeyAYXJMRXKFZNWTH-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.88
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide

2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (PubChem CID 110778138) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
PubChem CID110778138
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCN1C(=O)COc2ccc(NC(=O)Cc3cccc(Cl)c3)cc21
InChIInChI=1S/C17H15ClN2O3/c1-20-14-9-13(5-6-15(14)23-10-17(20)22)19-16(21)8-11-3-2-4-12(18)7-11/h2-7,9H,8,10H2,1H3,(H,19,21)
InChIKeyAYXJMRXKFZNWTH-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-2-(4-methylphenyl)acetamide
CID 110778134
N-(3-chloro-4-methylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770464
N-(3,4-dimethylphenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770445
4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 115162804
2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 56923008
4-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 82501321
N-(4-cyanophenyl)-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110770491
2-(2-aminoethylsulfanyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 84553125
3-amino-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide;hydrochloride
CID 119781434
3-(2-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 110778123
2,2,3,3-tetramethyl-1-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 146081080
N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-N'-[(2S)-4-phenylbutan-2-yl]oxamide
CID 51971211

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (CID 110778138) is 2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is CN1C(=O)COc2ccc(NC(=O)Cc3cccc(Cl)c3)cc21.
What is the InChIKey of 2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is AYXJMRXKFZNWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c1-20-14-9-13(5-6-15(14)23-10-17(20)22)19-16(21)8-11-3-2-4-12(18)7-11/h2-7,9H,8,10H2,1H3,(H,19,21).
What are the key properties of 2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 330.77 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 110778138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).