2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide

C23H21ClN2O2 — CID 93065925

IUPAC2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(C[C@@H]1COc2ccccc2N1Cc1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O2/c24-18-10-12-19(13-11-18)25-23(27)14-20-16-28-22-9-5-4-8-21(22)26(20)15-17-6-2-1-3-7-17/h1-13,20H,14-16H2,(H,25,27)/t20-/m1/s1
InChIKeyANNVOHCWUMPKJT-HXUWFJFHSA-N
MW392.89 g/mol
LogP5.14
Rot. Bonds5

About 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide

2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 93065925) has the molecular formula C23H21ClN2O2 and a molecular weight of 392.89 g/mol. Its IUPAC name is 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide
PubChem CID93065925
Molecular FormulaC23H21ClN2O2
Molecular Weight392.89 g/mol
Exact Mass392.13
IUPAC Name2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(C[C@@H]1COc2ccccc2N1Cc1ccccc1)Nc1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O2/c24-18-10-12-19(13-11-18)25-23(27)14-20-16-28-22-9-5-4-8-21(22)26(20)15-17-6-2-1-3-7-17/h1-13,20H,14-16H2,(H,25,27)/t20-/m1/s1
InChIKeyANNVOHCWUMPKJT-HXUWFJFHSA-N
XLogP5.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.89
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(4-methylphenyl)acetamide
CID 53034040
2-[(3S)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-fluorophenyl)acetamide
CID 95055810
2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide
CID 95055807
2-[(3S)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 92710411
N-benzyl-2-(4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 53034093
2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 97043879
2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 53034046
2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53077827
N-(4-fluorophenyl)-2-(4-methyl-2,3-dihydro-1,4-benzoxazin-3-yl)acetamide
CID 53013642
2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 53034034
2-[(3S)-4-benzyl-6-chloro-2,3-dihydro-1,4-benzoxazin-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95055965
2-[(3S)-4-[(4-methylphenyl)methyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92746946

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide (CID 93065925) is 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide is O=C(C[C@@H]1COc2ccccc2N1Cc1ccccc1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is ANNVOHCWUMPKJT-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21ClN2O2/c24-18-10-12-19(13-11-18)25-23(27)14-20-16-28-22-9-5-4-8-21(22)26(20)15-17-6-2-1-3-7-17/h1-13,20H,14-16H2,(H,25,27)/t20-/m1/s1.
What are the key properties of 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide?
2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 392.89 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 93065925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).