4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide

C16H16ClN3O — CID 76984980

IUPAC4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide
SMILESCC1Cc2ccccc2N1c1cc(Cl)ccc1C(N)=NO
InChIInChI=1S/C16H16ClN3O/c1-10-8-11-4-2-3-5-14(11)20(10)15-9-12(17)6-7-13(15)16(18)19-21/h2-7,9-10,21H,8H2,1H3,(H2,18,19)
InChIKeySLFCNZMTDIRUHV-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.52
Rot. Bonds2

About 4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide

4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide (PubChem CID 76984980) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide
PubChem CID76984980
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide
SMILESCC1Cc2ccccc2N1c1cc(Cl)ccc1C(N)=NO
InChIInChI=1S/C16H16ClN3O/c1-10-8-11-4-2-3-5-14(11)20(10)15-9-12(17)6-7-13(15)16(18)19-21/h2-7,9-10,21H,8H2,1H3,(H2,18,19)
InChIKeySLFCNZMTDIRUHV-UHFFFAOYSA-N
XLogP3.52
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide (CID 76984980) is 4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide is CC1Cc2ccccc2N1c1cc(Cl)ccc1C(N)=NO.
What is the InChIKey of 4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide?
The InChIKey is SLFCNZMTDIRUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-10-8-11-4-2-3-5-14(11)20(10)15-9-12(17)6-7-13(15)16(18)19-21/h2-7,9-10,21H,8H2,1H3,(H2,18,19).
What are the key properties of 4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide?
4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide has a molecular weight of 301.78 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-(2-methyl-2,3-dihydroindol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 76984980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).