N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide

C22H17ClN2O5 — CID 16801900

IUPACN-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c1OC
InChIInChI=1S/C22H17ClN2O5/c1-28-19-5-3-4-14(20(19)29-2)21(26)24-13-7-9-17-15(11-13)22(27)25-16-10-12(23)6-8-18(16)30-17/h3-11H,1-2H3,(H,24,26)(H,25,27)
InChIKeyFWIICWNSTFLVPC-UHFFFAOYSA-N
MW424.84 g/mol
LogP4.97
Rot. Bonds4

About N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide

N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide (PubChem CID 16801900) has the molecular formula C22H17ClN2O5 and a molecular weight of 424.84 g/mol. Its IUPAC name is N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide
PubChem CID16801900
Molecular FormulaC22H17ClN2O5
Molecular Weight424.84 g/mol
Exact Mass424.08
IUPAC NameN-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c1OC
InChIInChI=1S/C22H17ClN2O5/c1-28-19-5-3-4-14(20(19)29-2)21(26)24-13-7-9-17-15(11-13)22(27)25-16-10-12(23)6-8-18(16)30-17/h3-11H,1-2H3,(H,24,26)(H,25,27)
InChIKeyFWIICWNSTFLVPC-UHFFFAOYSA-N
XLogP4.97
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.84
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide with MolForge

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Related Compounds

N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4,5-dimethoxy-2-nitrobenzamide
CID 40947685
3-bromo-N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
CID 40947707
N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 40947636
N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-methylbutanamide
CID 40947609
4-chloro-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
CID 18571351
2-methoxy-N-(6-oxo-5H-pyrido[2,3-b][1,4]benzoxazepin-8-yl)benzamide
CID 71703146
3-methoxy-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
CID 40947544
N-(9,10-dioxoanthracen-2-yl)-2,3-dimethoxybenzamide
CID 7533072
3,5-dimethoxy-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
CID 40947451
2-bromo-N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide
CID 18571385
2,3-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524778
N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-methoxy-3-methylbenzenesulfonamide
CID 40889291

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide?
The IUPAC name of N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide (CID 16801900) is N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide.
What is the SMILES notation for N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide?
The canonical SMILES for N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide is COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c1OC.
What is the InChIKey of N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide?
The InChIKey is FWIICWNSTFLVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O5/c1-28-19-5-3-4-14(20(19)29-2)21(26)24-13-7-9-17-15(11-13)22(27)25-16-10-12(23)6-8-18(16)30-17/h3-11H,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide?
N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide has a molecular weight of 424.84 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2,3-dimethoxybenzamide is sourced from PubChem (CID 16801900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).