N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide

C17H14FN3O2 — CID 136996107

IUPACN-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2c(O)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C17H14FN3O2/c1-10(22)20-13-5-3-12(4-6-13)19-9-15-14-8-11(18)2-7-16(14)21-17(15)23/h2-9,21,23H,1H3,(H,20,22)/b19-9+
InChIKeyYHBZYSYDZZEDLJ-DJKKODMXSA-N
MW311.32 g/mol
LogP3.72
Rot. Bonds3

About N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide

N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide (PubChem CID 136996107) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide
PubChem CID136996107
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2c(O)[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C17H14FN3O2/c1-10(22)20-13-5-3-12(4-6-13)19-9-15-14-8-11(18)2-7-16(14)21-17(15)23/h2-9,21,23H,1H3,(H,20,22)/b19-9+
InChIKeyYHBZYSYDZZEDLJ-DJKKODMXSA-N
XLogP3.72
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135482238
3-[(3-ethylphenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135604974
3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol
CID 136996051
N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide
CID 135441376
N-[4-[2-hydroxy-3-[(3-hydroxy-4-methoxyphenyl)iminomethyl]-1H-indole-6-carbonyl]phenyl]acetamide
CID 135441253
3-[[4-(4-butan-2-ylpiperazin-1-yl)phenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605311
3-[(2,3-dichlorophenyl)iminomethyl]-5-fluoro-1H-indol-2-ol
CID 136996138
3-[[4-[2-[di(propan-2-yl)amino]ethylamino]phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
CID 135605516
3-[[4-[2-(diethylamino)ethylamino]-3-methylphenyl]iminomethyl]-5-fluoro-1H-indol-2-ol
CID 135605264
3-[[4-(dipropylamino)phenyl]iminomethyl]-6-fluoro-1H-indol-2-ol
CID 135605075
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528
methyl 2-hydroxy-3-[[4-(methylamino)phenyl]iminomethyl]-1H-indole-6-carboxylate
CID 138462659

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide (CID 136996107) is N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide is CC(=O)Nc1ccc(/N=C/c2c(O)[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide?
The InChIKey is YHBZYSYDZZEDLJ-DJKKODMXSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-10(22)20-13-5-3-12(4-6-13)19-9-15-14-8-11(18)2-7-16(14)21-17(15)23/h2-9,21,23H,1H3,(H,20,22)/b19-9+.
What are the key properties of N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide?
N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide has a molecular weight of 311.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-fluoro-2-hydroxy-1H-indol-3-yl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 136996107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).