1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide

C16H14ClN3O — CID 3815703

IUPAC1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide
SMILESNC(=NO)c1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C16H14ClN3O/c17-14-7-3-1-5-11(14)9-20-10-13(16(18)19-21)12-6-2-4-8-15(12)20/h1-8,10,21H,9H2,(H2,18,19)
InChIKeyCGJAPMYANVMDFR-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.44
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide

1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide (PubChem CID 3815703) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide
PubChem CID3815703
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide
SMILESNC(=NO)c1cn(Cc2ccccc2Cl)c2ccccc12
InChIInChI=1S/C16H14ClN3O/c17-14-7-3-1-5-11(14)9-20-10-13(16(18)19-21)12-6-2-4-8-15(12)20/h1-8,10,21H,9H2,(H2,18,19)
InChIKeyCGJAPMYANVMDFR-UHFFFAOYSA-N
XLogP3.44
TPSA63.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.44
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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Related Compounds

[1-[(2-chlorophenyl)methyl]indol-3-yl]-cyclohexylmethanone
CID 4319147
2-[1-[(2-chlorophenyl)methyl]indol-3-yl]acetic acid
CID 28599809
[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]urea
CID 3801394
1-[2-(4-chloro-3-methylphenoxy)ethyl]-N'-hydroxyindole-3-carboximidamide
CID 11957184
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706
2-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methylamino]acetic acid
CID 66528039
bis(2-chloro-N'-hydroxybenzenecarboximidamide);dihydrate
CID 139071341
ethyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
CID 6880922
1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid
CID 91690124
(E)-2-benzoyl-3-[1-[(2-chlorophenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 21381879
3-[1-[(2-chlorophenyl)methyl]indol-3-yl]-1-morpholin-4-ylpropan-1-one
CID 20899818
methyl N-[(E)-[1-[(2-chlorophenyl)methyl]indol-3-yl]methylideneamino]carbamate
CID 6864443

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide (CID 3815703) is 1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide is NC(=NO)c1cn(Cc2ccccc2Cl)c2ccccc12.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide?
The InChIKey is CGJAPMYANVMDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c17-14-7-3-1-5-11(14)9-20-10-13(16(18)19-21)12-6-2-4-8-15(12)20/h1-8,10,21H,9H2,(H2,18,19).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide?
1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide has a molecular weight of 299.76 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N'-hydroxyindole-3-carboximidamide is sourced from PubChem (CID 3815703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).