4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C19H19ClN2O3 — CID 24515308

IUPAC4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(=O)N1CC(C(=O)NC(C)c2ccccc2Cl)Oc2ccccc21
InChIInChI=1S/C19H19ClN2O3/c1-12(14-7-3-4-8-15(14)20)21-19(24)18-11-22(13(2)23)16-9-5-6-10-17(16)25-18/h3-10,12,18H,11H2,1-2H3,(H,21,24)
InChIKeyUAKZAPQSSPZYCB-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.33
Rot. Bonds3

About 4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 24515308) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID24515308
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCC(=O)N1CC(C(=O)NC(C)c2ccccc2Cl)Oc2ccccc21
InChIInChI=1S/C19H19ClN2O3/c1-12(14-7-3-4-8-15(14)20)21-19(24)18-11-22(13(2)23)16-9-5-6-10-17(16)25-18/h3-10,12,18H,11H2,1-2H3,(H,21,24)
InChIKeyUAKZAPQSSPZYCB-UHFFFAOYSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[1-(4-bromophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 24515344
(2R)-4-acetyl-N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 9361657
4-acetyl-N-(3,4-dichlorophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 43029722
4-acetyl-N-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18104204
4-acetyl-N-(2,6-dimethylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 18194453
(2S)-4-acetyl-N-(4-ethylphenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51640478
N-[1-(2-chlorophenyl)ethyl]-2-[2-(piperidine-1-carbonyl)-2,3-dihydro-1,4-benzoxazin-4-yl]acetamide
CID 46647086
(2R)-4-acetyl-N-(1-methylpyrazol-3-yl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51537801
(2R)-4-acetyl-N-pentyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 30991388
(2S)-4-[2-(2-chlorophenyl)acetyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 8945799
(2S)-4-acetyl-N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 41095791
N-(1-naphthalen-1-ylethyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 77467355

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of 4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 24515308) is 4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is CC(=O)N1CC(C(=O)NC(C)c2ccccc2Cl)Oc2ccccc21.
What is the InChIKey of 4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is UAKZAPQSSPZYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-12(14-7-3-4-8-15(14)20)21-19(24)18-11-22(13(2)23)16-9-5-6-10-17(16)25-18/h3-10,12,18H,11H2,1-2H3,(H,21,24).
What are the key properties of 4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[1-(2-chlorophenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 24515308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).