6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide

C19H19ClN2O4 — CID 11848287

IUPAC6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2Oc2ccc(Cl)cc21)NO
InChIInChI=1S/C19H19ClN2O4/c20-13-9-10-17-15(12-13)22(11-5-1-2-8-18(23)21-25)19(24)14-6-3-4-7-16(14)26-17/h3-4,6-7,9-10,12,25H,1-2,5,8,11H2,(H,21,23)
InChIKeyFQMUKTGPQQTFFB-UHFFFAOYSA-N
MW374.82 g/mol
LogP4.16
Rot. Bonds6

About 6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide

6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide (PubChem CID 11848287) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide
PubChem CID11848287
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2Oc2ccc(Cl)cc21)NO
InChIInChI=1S/C19H19ClN2O4/c20-13-9-10-17-15(12-13)22(11-5-1-2-8-18(23)21-25)19(24)14-6-3-4-7-16(14)26-17/h3-4,6-7,9-10,12,25H,1-2,5,8,11H2,(H,21,23)
InChIKeyFQMUKTGPQQTFFB-UHFFFAOYSA-N
XLogP4.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide?
The IUPAC name of 6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide (CID 11848287) is 6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide.
What is the SMILES notation for 6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide?
The canonical SMILES for 6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide is O=C(CCCCCN1C(=O)c2ccccc2Oc2ccc(Cl)cc21)NO.
What is the InChIKey of 6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide?
The InChIKey is FQMUKTGPQQTFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c20-13-9-10-17-15(12-13)22(11-5-1-2-8-18(23)21-25)19(24)14-6-3-4-7-16(14)26-17/h3-4,6-7,9-10,12,25H,1-2,5,8,11H2,(H,21,23).
What are the key properties of 6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide?
6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide has a molecular weight of 374.82 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-6-oxobenzo[b][1,4]benzoxazepin-5-yl)-N-hydroxyhexanamide is sourced from PubChem (CID 11848287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).