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

C19H19ClN2O3 — CID 3267583

IUPACN-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCC1Oc2ccc(Cl)cc2N(CC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C19H19ClN2O3/c1-2-16-19(24)22(15-10-14(20)8-9-17(15)25-16)12-18(23)21-11-13-6-4-3-5-7-13/h3-10,16H,2,11-12H2,1H3,(H,21,23)
InChIKeyARFXWGLMNGWLSU-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.16
Rot. Bonds5

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

N-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (PubChem CID 3267583) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
PubChem CID3267583
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC NameN-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
SMILESCCC1Oc2ccc(Cl)cc2N(CC(=O)NCc2ccccc2)C1=O
InChIInChI=1S/C19H19ClN2O3/c1-2-16-19(24)22(15-10-14(20)8-9-17(15)25-16)12-18(23)21-11-13-6-4-3-5-7-13/h3-10,16H,2,11-12H2,1H3,(H,21,23)
InChIKeyARFXWGLMNGWLSU-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid
CID 7080943
N-benzyl-2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 46960545
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 3674095
2-[2-ethyl-6-(furan-2-carbonyl)-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 110237091
6-chloro-2-ethyl-4-(2-morpholin-4-yl-2-oxoethyl)-1,4-benzoxazin-3-one
CID 3526127
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 757964
4-(2-amino-2-methylpropyl)-6-chloro-2-ethyl-1,4-benzoxazin-3-one
CID 82143212
2-(2-ethyl-3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-1-ium-2-ylmethyl)acetamide
CID 3639363
N-(2-acetamido-4-methyl-1,3-benzothiazol-6-yl)-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 46291117
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-heptylacetamide
CID 92853475
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]acetamide
CID 1086609
2-(2-ethyl-6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 3314566

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The IUPAC name of N-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide (CID 3267583) is N-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The canonical SMILES for N-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is CCC1Oc2ccc(Cl)cc2N(CC(=O)NCc2ccccc2)C1=O.
What is the InChIKey of N-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
The InChIKey is ARFXWGLMNGWLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-2-16-19(24)22(15-10-14(20)8-9-17(15)25-16)12-18(23)21-11-13-6-4-3-5-7-13/h3-10,16H,2,11-12H2,1H3,(H,21,23).
What are the key properties of N-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide?
N-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide has a molecular weight of 358.83 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(6-chloro-2-ethyl-3-oxo-1,4-benzoxazin-4-yl)acetamide is sourced from PubChem (CID 3267583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).