N'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide

C24H23N3O2 — CID 132533900

IUPACN'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide
SMILESCc1ccc(NNC(=O)c2ccc(-n3c4c(c5ccccc53)CCCC4)cc2)o1
InChIInChI=1S/C24H23N3O2/c1-16-10-15-23(29-16)25-26-24(28)17-11-13-18(14-12-17)27-21-8-4-2-6-19(21)20-7-3-5-9-22(20)27/h2,4,6,8,10-15,25H,3,5,7,9H2,1H3,(H,26,28)
InChIKeyXGFJGACKQQROOO-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.17
Rot. Bonds4

About N'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide

N'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide (PubChem CID 132533900) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is N'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide
PubChem CID132533900
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC NameN'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide
SMILESCc1ccc(NNC(=O)c2ccc(-n3c4c(c5ccccc53)CCCC4)cc2)o1
InChIInChI=1S/C24H23N3O2/c1-16-10-15-23(29-16)25-26-24(28)17-11-13-18(14-12-17)27-21-8-4-2-6-19(21)20-7-3-5-9-22(20)27/h2,4,6,8,10-15,25H,3,5,7,9H2,1H3,(H,26,28)
InChIKeyXGFJGACKQQROOO-UHFFFAOYSA-N
XLogP5.17
TPSA59.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide?
The IUPAC name of N'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide (CID 132533900) is N'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide.
What is the SMILES notation for N'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide?
The canonical SMILES for N'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide is Cc1ccc(NNC(=O)c2ccc(-n3c4c(c5ccccc53)CCCC4)cc2)o1.
What is the InChIKey of N'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide?
The InChIKey is XGFJGACKQQROOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-16-10-15-23(29-16)25-26-24(28)17-11-13-18(14-12-17)27-21-8-4-2-6-19(21)20-7-3-5-9-22(20)27/h2,4,6,8,10-15,25H,3,5,7,9H2,1H3,(H,26,28).
What are the key properties of N'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide?
N'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide has a molecular weight of 385.47 g/mol, XLogP of 5.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methylfuran-2-yl)-4-(1,2,3,4-tetrahydrocarbazol-9-yl)benzohydrazide is sourced from PubChem (CID 132533900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).