3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide

C20H20FN3O2 — CID 155598377

IUPAC3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide
SMILESCn1c2c(c3ccccc31)CCN(Cc1ccc(C(=O)NO)cc1F)C2
InChIInChI=1S/C20H20FN3O2/c1-23-18-5-3-2-4-15(18)16-8-9-24(12-19(16)23)11-14-7-6-13(10-17(14)21)20(25)22-26/h2-7,10,26H,8-9,11-12H2,1H3,(H,22,25)
InChIKeyZYAWIVYRYLKVIP-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.99
Rot. Bonds3

About 3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide

3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide (PubChem CID 155598377) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide
PubChem CID155598377
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide
SMILESCn1c2c(c3ccccc31)CCN(Cc1ccc(C(=O)NO)cc1F)C2
InChIInChI=1S/C20H20FN3O2/c1-23-18-5-3-2-4-15(18)16-8-9-24(12-19(16)23)11-14-7-6-13(10-17(14)21)20(25)22-26/h2-7,10,26H,8-9,11-12H2,1H3,(H,22,25)
InChIKeyZYAWIVYRYLKVIP-UHFFFAOYSA-N
XLogP2.99
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', '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 3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide?
The IUPAC name of 3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide (CID 155598377) is 3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide?
The canonical SMILES for 3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide is Cn1c2c(c3ccccc31)CCN(Cc1ccc(C(=O)NO)cc1F)C2.
What is the InChIKey of 3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide?
The InChIKey is ZYAWIVYRYLKVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-23-18-5-3-2-4-15(18)16-8-9-24(12-19(16)23)11-14-7-6-13(10-17(14)21)20(25)22-26/h2-7,10,26H,8-9,11-12H2,1H3,(H,22,25).
What are the key properties of 3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide?
3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide has a molecular weight of 353.40 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-hydroxy-4-[(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)methyl]benzamide is sourced from PubChem (CID 155598377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).