6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide

C19H20ClN3O3 — CID 11849155

IUPAC6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2Nc2ccc(Cl)cc21)NO
InChIInChI=1S/C19H20ClN3O3/c20-13-9-10-16-17(12-13)23(11-5-1-2-8-18(24)22-26)19(25)14-6-3-4-7-15(14)21-16/h3-4,6-7,9-10,12,21,26H,1-2,5,8,11H2,(H,22,24)
InChIKeyUIRFAHAEWJFHHC-UHFFFAOYSA-N
MW373.84 g/mol
LogP4.11
Rot. Bonds6

About 6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide

6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide (PubChem CID 11849155) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide
PubChem CID11849155
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2Nc2ccc(Cl)cc21)NO
InChIInChI=1S/C19H20ClN3O3/c20-13-9-10-16-17(12-13)23(11-5-1-2-8-18(24)22-26)19(25)14-6-3-4-7-15(14)21-16/h3-4,6-7,9-10,12,21,26H,1-2,5,8,11H2,(H,22,24)
InChIKeyUIRFAHAEWJFHHC-UHFFFAOYSA-N
XLogP4.11
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 54.11
H-Bond Donors ≤ 53
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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Related Compounds

Clobenzepam
CID 14396
U 17660
CID 26008
8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
CID 3653116
4-[(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
CID 164610864
5H-DIBENZO(b,e)(1,4)DIAZEPIN-11-ONE, 10,11-DIHYDRO-10-(2-(DIMETHYLAMINO)ETHYL)-
CID 25734
7-Chloro-3H-1,4-benzodiazepin-2,5(1H,4H)-dione
CID 330746
4-[(7-chloro-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
CID 164609106
4-chloro-N-[2-(4-ethylpiperazine-1-carbonyl)phenyl]benzamide
CID 558758
N-hydroxy-6-(6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)hexanamide
CID 11849152
4-[(8-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]-N-hydroxybenzamide
CID 156889604
2-amino-N-{3-[4-(3-chlorophenyl)-1-piperazinyl]propyl}benzamide
CID 16210755
5-Chloro-2-(methylamino)-N-(2-phenylethyl)benzamide
CID 719608

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide?
The IUPAC name of 6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide (CID 11849155) is 6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide.
What is the SMILES notation for 6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide?
The canonical SMILES for 6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide is O=C(CCCCCN1C(=O)c2ccccc2Nc2ccc(Cl)cc21)NO.
What is the InChIKey of 6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide?
The InChIKey is UIRFAHAEWJFHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c20-13-9-10-16-17(12-13)23(11-5-1-2-8-18(24)22-26)19(25)14-6-3-4-7-15(14)21-16/h3-4,6-7,9-10,12,21,26H,1-2,5,8,11H2,(H,22,24).
What are the key properties of 6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide?
6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide has a molecular weight of 373.84 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)-N-hydroxyhexanamide is sourced from PubChem (CID 11849155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).