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

C18H17ClN2O3 — CID 110778210

IUPAC2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCC1Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2N(C)C1=O
InChIInChI=1S/C18H17ClN2O3/c1-11-18(23)21(2)15-10-13(7-8-16(15)24-11)20-17(22)9-12-5-3-4-6-14(12)19/h3-8,10-11H,9H2,1-2H3,(H,20,22)
InChIKeyXHZYRNFPMDFWED-UHFFFAOYSA-N
MW344.80 g/mol
LogP3.26
Rot. Bonds3

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

2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (PubChem CID 110778210) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
PubChem CID110778210
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Name2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
SMILESCC1Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2N(C)C1=O
InChIInChI=1S/C18H17ClN2O3/c1-11-18(23)21(2)15-10-13(7-8-16(15)24-11)20-17(22)9-12-5-3-4-6-14(12)19/h3-8,10-11H,9H2,1-2H3,(H,20,22)
InChIKeyXHZYRNFPMDFWED-UHFFFAOYSA-N
XLogP3.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide;hydrochloride
CID 154915922
N-[(2-chlorophenyl)methyl]-2,4-dimethyl-3-oxo-1,4-benzoxazine-6-carboxamide
CID 110683170
2-(1,3-benzodioxol-5-yl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 131895985
N-[2-[[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-2-oxoethyl]benzamide
CID 42504871
2-(3-chloro-4-fluorophenoxy)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 131908860
3-(benzenesulfonyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)propanamide
CID 131889206
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(3-methylphenyl)propanamide
CID 110778200
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51065384
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-2-(2-nitrophenoxy)acetamide
CID 51065308
N-[(2R)-2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 92612976
N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131891075
4-(dimethylamino)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)benzamide
CID 110793041

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide (CID 110778210) is 2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is CC1Oc2ccc(NC(=O)Cc3ccccc3Cl)cc2N(C)C1=O.
What is the InChIKey of 2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is XHZYRNFPMDFWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-11-18(23)21(2)15-10-13(7-8-16(15)24-11)20-17(22)9-12-5-3-4-6-14(12)19/h3-8,10-11H,9H2,1-2H3,(H,20,22).
What are the key properties of 2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide?
2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 344.80 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 110778210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).