N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide

C20H18ClNO3 — CID 4067768

IUPACN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C20H18ClNO3/c1-20(2,3)19(24)22-16-14-6-4-5-7-15(14)25-18(16)17(23)12-8-10-13(21)11-9-12/h4-11H,1-3H3,(H,22,24)
InChIKeyWPRYSTSHBHOZHF-UHFFFAOYSA-N
MW355.82 g/mol
LogP5.30
Rot. Bonds3

About N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide (PubChem CID 4067768) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
PubChem CID4067768
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C20H18ClNO3/c1-20(2,3)19(24)22-16-14-6-4-5-7-15(14)25-18(16)17(23)12-8-10-13(21)11-9-12/h4-11H,1-3H3,(H,22,24)
InChIKeyWPRYSTSHBHOZHF-UHFFFAOYSA-N
XLogP5.30
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.82
LogP ≤ 55.30
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
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827091
2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]amino]-1-(4-chlorophenyl)ethanone
CID 110825260
[2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
CID 18883704
(4-chlorophenyl)-[3-(octylamino)-1-benzofuran-2-yl]methanone
CID 110827004
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(2-chlorophenoxy)acetamide
CID 3445771
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide
CID 4550795
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 3324901
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 3445970
4-chloro-N-[2-(thiophene-2-carbonyl)-1-benzofuran-3-yl]benzamide
CID 2138486

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide (CID 4067768) is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide?
The InChIKey is WPRYSTSHBHOZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-20(2,3)19(24)22-16-14-6-4-5-7-15(14)25-18(16)17(23)12-8-10-13(21)11-9-12/h4-11H,1-3H3,(H,22,24).
What are the key properties of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide?
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide has a molecular weight of 355.82 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 4067768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).