2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide

C20H18BrFN4O3 — CID 55822838

IUPAC2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1cc(F)ccc1Br)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H18BrFN4O3/c21-16-6-5-13(22)10-15(16)20(29)23-8-7-18(27)25-26-19(28)9-12-11-24-17-4-2-1-3-14(12)17/h1-6,10-11,24H,7-9H2,(H,23,29)(H,25,27)(H,26,28)
InChIKeyONNSBOCIVGTEBV-UHFFFAOYSA-N
MW461.29 g/mol
LogP2.58
Rot. Bonds6

About 2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide

2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide (PubChem CID 55822838) has the molecular formula C20H18BrFN4O3 and a molecular weight of 461.29 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
PubChem CID55822838
Molecular FormulaC20H18BrFN4O3
Molecular Weight461.29 g/mol
Exact Mass460.05
IUPAC Name2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
SMILESO=C(CCNC(=O)c1cc(F)ccc1Br)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C20H18BrFN4O3/c21-16-6-5-13(22)10-15(16)20(29)23-8-7-18(27)25-26-19(28)9-12-11-24-17-4-2-1-3-14(12)17/h1-6,10-11,24H,7-9H2,(H,23,29)(H,25,27)(H,26,28)
InChIKeyONNSBOCIVGTEBV-UHFFFAOYSA-N
XLogP2.58
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.29
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
2-bromo-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245347
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]thiophene-2-carboxamide
CID 39757148
2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
5-fluoro-2-(hydroxymethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 175363337
3-(4-fluorophenyl)sulfanyl-N'-[2-(1H-indol-3-yl)acetyl]propanehydrazide
CID 17485569
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
2-bromo-5-fluoro-N-[3-(2-hydroxyethylamino)-3-oxopropyl]benzamide
CID 78889647
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905428
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-hydroxybenzamide
CID 155516405

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide (CID 55822838) is 2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide is O=C(CCNC(=O)c1cc(F)ccc1Br)NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
The InChIKey is ONNSBOCIVGTEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN4O3/c21-16-6-5-13(22)10-15(16)20(29)23-8-7-18(27)25-26-19(28)9-12-11-24-17-4-2-1-3-14(12)17/h1-6,10-11,24H,7-9H2,(H,23,29)(H,25,27)(H,26,28).
What are the key properties of 2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide?
2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide has a molecular weight of 461.29 g/mol, XLogP of 2.58, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide is sourced from PubChem (CID 55822838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).