[3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone

C22H15ClN2O — CID 57391368

IUPAC[3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1cc(/C=N/c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C22H15ClN2O/c23-18-10-12-19(13-11-18)24-14-17-15-25(21-9-5-4-8-20(17)21)22(26)16-6-2-1-3-7-16/h1-15H/b24-14+
InChIKeyHABQUBUTFCPPRO-ZVHZXABRSA-N
MW358.83 g/mol
LogP5.73
Rot. Bonds3

About [3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone

[3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone (PubChem CID 57391368) has the molecular formula C22H15ClN2O and a molecular weight of 358.83 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone
PubChem CID57391368
Molecular FormulaC22H15ClN2O
Molecular Weight358.83 g/mol
Exact Mass358.09
IUPAC Name[3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1cc(/C=N/c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C22H15ClN2O/c23-18-10-12-19(13-11-18)24-14-17-15-25(21-9-5-4-8-20(17)21)22(26)16-6-2-1-3-7-16/h1-15H/b24-14+
InChIKeyHABQUBUTFCPPRO-ZVHZXABRSA-N
XLogP5.73
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone?
The IUPAC name of [3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone (CID 57391368) is [3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone?
The canonical SMILES for [3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone is O=C(c1ccccc1)n1cc(/C=N/c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of [3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone?
The InChIKey is HABQUBUTFCPPRO-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H15ClN2O/c23-18-10-12-19(13-11-18)24-14-17-15-25(21-9-5-4-8-20(17)21)22(26)16-6-2-1-3-7-16/h1-15H/b24-14+.
What are the key properties of [3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone?
[3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone has a molecular weight of 358.83 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)iminomethyl]indol-1-yl]-phenylmethanone is sourced from PubChem (CID 57391368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).