(4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone

C23H26ClNO2 — CID 110827004

IUPAC(4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone
SMILESCCCCCCCCNc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C23H26ClNO2/c1-2-3-4-5-6-9-16-25-21-19-10-7-8-11-20(19)27-23(21)22(26)17-12-14-18(24)15-13-17/h7-8,10-15,25H,2-6,9,16H2,1H3
InChIKeyJJSSLLGGIJLZMU-UHFFFAOYSA-N
MW383.92 g/mol
LogP7.09
Rot. Bonds10

About (4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone

(4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone (PubChem CID 110827004) has the molecular formula C23H26ClNO2 and a molecular weight of 383.92 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone
PubChem CID110827004
Molecular FormulaC23H26ClNO2
Molecular Weight383.92 g/mol
Exact Mass383.17
IUPAC Name(4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone
SMILESCCCCCCCCNc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C23H26ClNO2/c1-2-3-4-5-6-9-16-25-21-19-10-7-8-11-20(19)27-23(21)22(26)17-12-14-18(24)15-13-17/h7-8,10-15,25H,2-6,9,16H2,1H3
InChIKeyJJSSLLGGIJLZMU-UHFFFAOYSA-N
XLogP7.09
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.92
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]amino]-1-(4-chlorophenyl)ethanone
CID 110825260
N-(3-chlorophenyl)-3-(heptylamino)-1-benzofuran-2-carboxamide
CID 110826934
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
CID 4067768
(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827091
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
N-(2-benzoyl-1-benzofuran-3-yl)pentanamide
CID 3445962
3,5-dichloro-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]-4-heptoxybenzamide
CID 18848177
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289356
3,5-dichloro-4-heptoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18848189
2-[[2-(4-methylbenzoyl)-1-benzofuran-3-yl]amino]-1-(4-methylphenyl)ethanone
CID 110825903
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone (CID 110827004) is (4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone is CCCCCCCCNc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of (4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone?
The InChIKey is JJSSLLGGIJLZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClNO2/c1-2-3-4-5-6-9-16-25-21-19-10-7-8-11-20(19)27-23(21)22(26)17-12-14-18(24)15-13-17/h7-8,10-15,25H,2-6,9,16H2,1H3.
What are the key properties of (4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone?
(4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone has a molecular weight of 383.92 g/mol, XLogP of 7.09, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 110827004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).