6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one

C22H16ClNO2 — CID 146018555

IUPAC6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccc(NCc3ccc(Cl)cc3)cc12
InChIInChI=1S/C22H16ClNO2/c23-17-8-6-15(7-9-17)14-24-18-10-11-21-19(12-18)20(25)13-22(26-21)16-4-2-1-3-5-16/h1-13,24H,14H2
InChIKeyHFBDHIPGSQOBPP-UHFFFAOYSA-N
MW361.83 g/mol
LogP5.73
Rot. Bonds4

About 6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one

6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one (PubChem CID 146018555) has the molecular formula C22H16ClNO2 and a molecular weight of 361.83 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one
PubChem CID146018555
Molecular FormulaC22H16ClNO2
Molecular Weight361.83 g/mol
Exact Mass361.09
IUPAC Name6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2ccc(NCc3ccc(Cl)cc3)cc12
InChIInChI=1S/C22H16ClNO2/c23-17-8-6-15(7-9-17)14-24-18-10-11-21-19(12-18)20(25)13-22(26-21)16-4-2-1-3-5-16/h1-13,24H,14H2
InChIKeyHFBDHIPGSQOBPP-UHFFFAOYSA-N
XLogP5.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.83
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one?
The IUPAC name of 6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one (CID 146018555) is 6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one.
What is the SMILES notation for 6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one?
The canonical SMILES for 6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2ccc(NCc3ccc(Cl)cc3)cc12.
What is the InChIKey of 6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one?
The InChIKey is HFBDHIPGSQOBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO2/c23-17-8-6-15(7-9-17)14-24-18-10-11-21-19(12-18)20(25)13-22(26-21)16-4-2-1-3-5-16/h1-13,24H,14H2.
What are the key properties of 6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one?
6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one has a molecular weight of 361.83 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)methylamino]-2-phenylchromen-4-one is sourced from PubChem (CID 146018555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).