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

C19H19ClN2O3 — CID 18132276

IUPACN-[(2-chlorophenyl)methyl]-N-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)N(C)Cc2ccccc2Cl)C1=O
InChIInChI=1S/C19H19ClN2O3/c1-13-19(24)22(16-9-5-6-10-17(16)25-13)12-18(23)21(2)11-14-7-3-4-8-15(14)20/h3-10,13H,11-12H2,1-2H3
InChIKeyJFAZOMLEXSTCJF-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.11
Rot. Bonds4

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

N-[(2-chlorophenyl)methyl]-N-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 18132276) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID18132276
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-[(2-chlorophenyl)methyl]-N-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCC1Oc2ccccc2N(CC(=O)N(C)Cc2ccccc2Cl)C1=O
InChIInChI=1S/C19H19ClN2O3/c1-13-19(24)22(16-9-5-6-10-17(16)25-13)12-18(23)21(2)11-14-7-3-4-8-15(14)20/h3-10,13H,11-12H2,1-2H3
InChIKeyJFAZOMLEXSTCJF-UHFFFAOYSA-N
XLogP3.11
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 95051578
2-methyl-4-(2-oxobutyl)-1,4-benzoxazin-3-one
CID 62038277
N-(3-chloro-2-methylphenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23409254
2-methyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 18131937
2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetohydrazide
CID 28520009
(2S)-2-methyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-benzoxazin-3-one
CID 1455485
N-ethyl-N-methyl-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 134063240
N'-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N'-phenylacetohydrazide
CID 18132260
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928653
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 18164964
N-(2,4-dichlorophenyl)-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 23410074
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 51928652

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 18132276) is N-[(2-chlorophenyl)methyl]-N-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CC1Oc2ccccc2N(CC(=O)N(C)Cc2ccccc2Cl)C1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is JFAZOMLEXSTCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-13-19(24)22(16-9-5-6-10-17(16)25-13)12-18(23)21(2)11-14-7-3-4-8-15(14)20/h3-10,13H,11-12H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-[(2-chlorophenyl)methyl]-N-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 358.83 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-methyl-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 18132276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).