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

C18H16ClNO2 — CID 110827091

IUPAC(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
SMILESCC(C)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C18H16ClNO2/c1-11(2)20-16-14-5-3-4-6-15(14)22-18(16)17(21)12-7-9-13(19)10-8-12/h3-11,20H,1-2H3
InChIKeyFBNYFVDRHIJHFC-UHFFFAOYSA-N
MW313.78 g/mol
LogP5.14
Rot. Bonds4

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

(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone (PubChem CID 110827091) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
PubChem CID110827091
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
SMILESCC(C)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C18H16ClNO2/c1-11(2)20-16-14-5-3-4-6-15(14)22-18(16)17(21)12-7-9-13(19)10-8-12/h3-11,20H,1-2H3
InChIKeyFBNYFVDRHIJHFC-UHFFFAOYSA-N
XLogP5.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.78
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
(3-fluoro-4-methylphenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827099
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
CID 4067768
2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]amino]-1-(4-chlorophenyl)ethanone
CID 110825260
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
(4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone
CID 110827004
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3324901
[2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
CID 18883704
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 3324905
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide
CID 3445771
(3-methyl-1-benzofuran-2-yl)-(4-propan-2-ylphenyl)methanone
CID 28880618
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide
CID 4550795

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone (CID 110827091) is (4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone is CC(C)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of (4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone?
The InChIKey is FBNYFVDRHIJHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-11(2)20-16-14-5-3-4-6-15(14)22-18(16)17(21)12-7-9-13(19)10-8-12/h3-11,20H,1-2H3.
What are the key properties of (4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone?
(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone has a molecular weight of 313.78 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 110827091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).