4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide

C23H19N3O2 — CID 151298212

IUPAC4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(-c2ccc3c(c2)N(C2CC2)c2ccccc2C=N3)cc1
InChIInChI=1S/C23H19N3O2/c27-23(25-28)16-7-5-15(6-8-16)17-9-12-20-22(13-17)26(19-10-11-19)21-4-2-1-3-18(21)14-24-20/h1-9,12-14,19,28H,10-11H2,(H,25,27)
InChIKeyOBVZUMWJEKFHGW-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.84
Rot. Bonds3

About 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide

4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide (PubChem CID 151298212) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide.

Molecular Properties

Compound Name4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide
PubChem CID151298212
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(-c2ccc3c(c2)N(C2CC2)c2ccccc2C=N3)cc1
InChIInChI=1S/C23H19N3O2/c27-23(25-28)16-7-5-15(6-8-16)17-9-12-20-22(13-17)26(19-10-11-19)21-4-2-1-3-18(21)14-24-20/h1-9,12-14,19,28H,10-11H2,(H,25,27)
InChIKeyOBVZUMWJEKFHGW-UHFFFAOYSA-N
XLogP4.84
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide?
The IUPAC name of 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide (CID 151298212) is 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide.
What is the SMILES notation for 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide?
The canonical SMILES for 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide is O=C(NO)c1ccc(-c2ccc3c(c2)N(C2CC2)c2ccccc2C=N3)cc1.
What is the InChIKey of 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide?
The InChIKey is OBVZUMWJEKFHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-23(25-28)16-7-5-15(6-8-16)17-9-12-20-22(13-17)26(19-10-11-19)21-4-2-1-3-18(21)14-24-20/h1-9,12-14,19,28H,10-11H2,(H,25,27).
What are the key properties of 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide?
4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide has a molecular weight of 369.42 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11-cyclopropylbenzo[b][1,4]benzodiazepin-2-yl)-N-hydroxybenzamide is sourced from PubChem (CID 151298212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).