5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide

C14H12ClN3O2 — CID 63578349

IUPAC5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cc(Cl)c3ccccc32)o1
InChIInChI=1S/C14H12ClN3O2/c15-11-8-18(12-4-2-1-3-10(11)12)7-9-5-6-13(20-9)14(19)17-16/h1-6,8H,7,16H2,(H,17,19)
InChIKeyUCSJZNDIACYLMV-UHFFFAOYSA-N
MW289.72 g/mol
LogP2.54
Rot. Bonds3

About 5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide

5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide (PubChem CID 63578349) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide
PubChem CID63578349
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(Cn2cc(Cl)c3ccccc32)o1
InChIInChI=1S/C14H12ClN3O2/c15-11-8-18(12-4-2-1-3-10(11)12)7-9-5-6-13(20-9)14(19)17-16/h1-6,8H,7,16H2,(H,17,19)
InChIKeyUCSJZNDIACYLMV-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-[(3-methylindol-1-yl)methyl]furan-2-carbohydrazide
CID 63577239
5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63578350
5-[(3-acetylindol-1-yl)methyl]furan-2-carboxylic acid
CID 117098458
5-[(1-oxophthalazin-2-yl)methyl]furan-2-carbohydrazide
CID 63571683
5-(indazol-1-ylmethyl)furan-2-carbohydrazide
CID 63578154
5-[(1,3-dioxoisoindol-2-yl)methyl]furan-2-carbohydrazide
CID 63572812
5-[(2-oxo-1,3-thiazol-3-yl)methyl]furan-2-carbohydrazide
CID 63578720
5-[[3-[[(2-phenylacetyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid
CID 4043420
5-[(2,6-dichlorophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 55212131
5-[(3-bromo-5-nitro-2-oxo-1-pyridinyl)methyl]furan-2-carbohydrazide
CID 104506056
5-[[3-[(furan-2-carbonylhydrazinylidene)methyl]indol-1-yl]methyl]furan-2-carboxylic acid
CID 3875663
methyl 2-(3-chloroindol-1-yl)acetate
CID 62805557

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide?
The IUPAC name of 5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide (CID 63578349) is 5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide?
The canonical SMILES for 5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide is NNC(=O)c1ccc(Cn2cc(Cl)c3ccccc32)o1.
What is the InChIKey of 5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide?
The InChIKey is UCSJZNDIACYLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-11-8-18(12-4-2-1-3-10(11)12)7-9-5-6-13(20-9)14(19)17-16/h1-6,8H,7,16H2,(H,17,19).
What are the key properties of 5-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide?
5-[(3-chloroindol-1-yl)methyl]furan-2-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-[(3-chloroindol-1-yl)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63578349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).