N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide

C19H17BrFN3O3 — CID 78852324

IUPACN'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C19H17BrFN3O3/c1-11-15(16-8-13(21)4-7-17(16)22-11)9-18(25)23-24-19(26)10-27-14-5-2-12(20)3-6-14/h2-8,22H,9-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyLVHMMNDSNAWQNU-UHFFFAOYSA-N
MW434.27 g/mol
LogP3.15
Rot. Bonds5

About N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide

N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide (PubChem CID 78852324) has the molecular formula C19H17BrFN3O3 and a molecular weight of 434.27 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide
PubChem CID78852324
Molecular FormulaC19H17BrFN3O3
Molecular Weight434.27 g/mol
Exact Mass433.04
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide
SMILESCc1[nH]c2ccc(F)cc2c1CC(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C19H17BrFN3O3/c1-11-15(16-8-13(21)4-7-17(16)22-11)9-18(25)23-24-19(26)10-27-14-5-2-12(20)3-6-14/h2-8,22H,9-10H2,1H3,(H,23,25)(H,24,26)
InChIKeyLVHMMNDSNAWQNU-UHFFFAOYSA-N
XLogP3.15
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.27
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-phenoxyacetamide
CID 113085913
N-(3,5-dimethylphenyl)-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 31901245
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(4-methylphenyl)acetamide
CID 31855827
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 32607717
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-prop-2-enylacetamide
CID 31899230
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-pyridin-4-ylacetamide
CID 10826823
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109478715
N'-[2-(4-bromophenoxy)acetyl]-7-fluoro-2-methylquinoline-4-carbohydrazide
CID 78859425
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N,N-dimethylacetamide
CID 31968622
N-[(2,5-dimethyl-1H-pyrrol-3-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 110786205
N'-[2-(4-bromo-2-fluorophenoxy)acetyl]-2-(4-fluorophenoxy)acetohydrazide
CID 26929895
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)acetamide
CID 134005288

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide (CID 78852324) is N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide is Cc1[nH]c2ccc(F)cc2c1CC(=O)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide?
The InChIKey is LVHMMNDSNAWQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrFN3O3/c1-11-15(16-8-13(21)4-7-17(16)22-11)9-18(25)23-24-19(26)10-27-14-5-2-12(20)3-6-14/h2-8,22H,9-10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide?
N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide has a molecular weight of 434.27 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetohydrazide is sourced from PubChem (CID 78852324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).