5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide

C14H12ClN3O2 — CID 103474683

IUPAC5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(Cn2ccc3cccc(Cl)c32)c1
InChIInChI=1S/C14H12ClN3O2/c15-12-3-1-2-9-4-5-18(13(9)12)7-11-6-10(8-20-11)14(19)17-16/h1-6,8H,7,16H2,(H,17,19)
InChIKeyWWBLWQJMUZOSMD-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.54
Rot. Bonds3

About 5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide

5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide (PubChem CID 103474683) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide
PubChem CID103474683
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide
SMILESNNC(=O)c1coc(Cn2ccc3cccc(Cl)c32)c1
InChIInChI=1S/C14H12ClN3O2/c15-12-3-1-2-9-4-5-18(13(9)12)7-11-6-10(8-20-11)14(19)17-16/h1-6,8H,7,16H2,(H,17,19)
InChIKeyWWBLWQJMUZOSMD-UHFFFAOYSA-N
XLogP2.54
TPSA73.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(4,6-dichloroindol-1-yl)methyl]furan-3-carbohydrazide
CID 103428139
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580476
5-[(3-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
CID 63579417
5-[(2,3-dichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575027
6-(7-chloroindol-1-yl)hexan-3-one
CID 106801891
5-(naphthalen-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581398
3-bromo-4-[(7-chloroindol-1-yl)methyl]benzoic acid
CID 103474202
5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide
CID 63579908
5-[(2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carbohydrazide
CID 63571860
5-[(2,4,6-trichlorophenoxy)methyl]furan-3-carbohydrazide
CID 63575773
2-(7-chloroindol-1-yl)-1-(3,4-dichlorophenyl)ethanone
CID 103474550
5-[(5-chloroindol-1-yl)methyl]furan-3-carboxylic acid
CID 63880239

Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide (CID 103474683) is 5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide is NNC(=O)c1coc(Cn2ccc3cccc(Cl)c32)c1.
What is the InChIKey of 5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide?
The InChIKey is WWBLWQJMUZOSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-12-3-1-2-9-4-5-18(13(9)12)7-11-6-10(8-20-11)14(19)17-16/h1-6,8H,7,16H2,(H,17,19).
What are the key properties of 5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide?
5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide has a molecular weight of 289.72 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloroindol-1-yl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 103474683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).