N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide

C20H14ClN3O3 — CID 20908896

IUPACN-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
SMILESO=C(CN1C(=O)c2cccnc2Oc2ccccc21)Nc1ccccc1Cl
InChIInChI=1S/C20H14ClN3O3/c21-14-7-1-2-8-15(14)23-18(25)12-24-16-9-3-4-10-17(16)27-19-13(20(24)26)6-5-11-22-19/h1-11H,12H2,(H,23,25)
InChIKeyQFYBKEYXLMCXSL-UHFFFAOYSA-N
MW379.80 g/mol
LogP4.13
Rot. Bonds3

About N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide

N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide (PubChem CID 20908896) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
PubChem CID20908896
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC NameN-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
SMILESO=C(CN1C(=O)c2cccnc2Oc2ccccc21)Nc1ccccc1Cl
InChIInChI=1S/C20H14ClN3O3/c21-14-7-1-2-8-15(14)23-18(25)12-24-16-9-3-4-10-17(16)27-19-13(20(24)26)6-5-11-22-19/h1-11H,12H2,(H,23,25)
InChIKeyQFYBKEYXLMCXSL-UHFFFAOYSA-N
XLogP4.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2-methylphenyl)acetamide
CID 20908997
N-(2,4-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908998
N-(2,3-dimethylphenyl)-2-(8-methyl-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908990
N-(2-morpholin-4-ylethyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908953
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-(2,6-dimethylphenyl)acetamide
CID 20909064
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-propan-2-ylacetamide
CID 20909078
2-(8-chloro-5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetic acid
CID 20887664
N-(2-hydroxyethyl)-2-(6-oxopyrido[2,3-b][1,4]benzoxazepin-5-yl)acetamide
CID 71827583
2-(4-chloro-1,3-dioxoisoindol-2-yl)-N-(2-chlorophenyl)acetamide
CID 113201368
N-(2-chlorophenyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 2993365
N-(2-chlorophenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9032039
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908963

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide (CID 20908896) is N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide is O=C(CN1C(=O)c2cccnc2Oc2ccccc21)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide?
The InChIKey is QFYBKEYXLMCXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c21-14-7-1-2-8-15(14)23-18(25)12-24-16-9-3-4-10-17(16)27-19-13(20(24)26)6-5-11-22-19/h1-11H,12H2,(H,23,25).
What are the key properties of N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide?
N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide has a molecular weight of 379.80 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide is sourced from PubChem (CID 20908896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).