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

C19H16ClNO3 — CID 4067766

IUPACN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C19H16ClNO3/c1-11(2)19(23)21-16-14-5-3-4-6-15(14)24-18(16)17(22)12-7-9-13(20)10-8-12/h3-11H,1-2H3,(H,21,23)
InChIKeySGPNRRVEJVHEPL-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.91
Rot. Bonds4

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

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide (PubChem CID 4067766) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
PubChem CID4067766
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC NameN-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12
InChIInChI=1S/C19H16ClNO3/c1-11(2)19(23)21-16-14-5-3-4-6-15(14)24-18(16)17(22)12-7-9-13(20)10-8-12/h3-11H,1-2H3,(H,21,23)
InChIKeySGPNRRVEJVHEPL-UHFFFAOYSA-N
XLogP4.91
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[3-(propan-2-ylamino)-1-benzofuran-2-yl]methanone
CID 110827091
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2,2-dimethylpropanamide
CID 4067768
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chlorophenyl)acetamide
CID 19114627
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-(4-propan-2-ylphenoxy)acetamide
CID 3324901
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide
CID 4550795
[2-[[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]carbamoyl]phenyl] acetate
CID 18883704
2-(5-chloro-1-benzofuran-3-yl)-N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]acetamide
CID 18860958
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
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-chloro-2-methylphenoxy)acetamide
CID 3445970
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445863

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide (CID 4067766) is N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide is CC(C)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12.
What is the InChIKey of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide?
The InChIKey is SGPNRRVEJVHEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-11(2)19(23)21-16-14-5-3-4-6-15(14)24-18(16)17(22)12-7-9-13(20)10-8-12/h3-11H,1-2H3,(H,21,23).
What are the key properties of N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide?
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide has a molecular weight of 341.79 g/mol, XLogP of 4.91, 4 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-methylpropanamide is sourced from PubChem (CID 4067766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).