N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide

C31H24ClN3O2 — CID 3769673

IUPACN-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccccc12)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H24ClN3O2/c32-26-17-9-7-11-21(26)20-35-27-18-10-8-16-24(27)28(30(35)37)33-34-29(36)25-19-31(25,22-12-3-1-4-13-22)23-14-5-2-6-15-23/h1-18,25,37H,19-20H2/b34-33+
InChIKeyLIKLSNHIBFAYRX-JEIPZWNWSA-N
MW506.01 g/mol
LogP7.67
Rot. Bonds6

About N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide

N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide (PubChem CID 3769673) has the molecular formula C31H24ClN3O2 and a molecular weight of 506.01 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide
PubChem CID3769673
Molecular FormulaC31H24ClN3O2
Molecular Weight506.01 g/mol
Exact Mass505.16
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide
SMILESO=C(/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccccc12)C1CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H24ClN3O2/c32-26-17-9-7-11-21(26)20-35-27-18-10-8-16-24(27)28(30(35)37)33-34-29(36)25-19-31(25,22-12-3-1-4-13-22)23-14-5-2-6-15-23/h1-18,25,37H,19-20H2/b34-33+
InChIKeyLIKLSNHIBFAYRX-JEIPZWNWSA-N
XLogP7.67
TPSA66.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.01
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide (CID 3769673) is N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide is O=C(/N=N/c1c(O)n(Cc2ccccc2Cl)c2ccccc12)C1CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide?
The InChIKey is LIKLSNHIBFAYRX-JEIPZWNWSA-N. The full InChI is InChI=1S/C31H24ClN3O2/c32-26-17-9-7-11-21(26)20-35-27-18-10-8-16-24(27)28(30(35)37)33-34-29(36)25-19-31(25,22-12-3-1-4-13-22)23-14-5-2-6-15-23/h1-18,25,37H,19-20H2/b34-33+.
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide?
N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide has a molecular weight of 506.01 g/mol, XLogP of 7.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]imino-2,2-diphenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3769673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).