N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide

C20H18BrNO3 — CID 4289356

IUPACN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide
SMILESCCCCC(=O)Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12
InChIInChI=1S/C20H18BrNO3/c1-2-3-8-17(23)22-18-15-6-4-5-7-16(15)25-20(18)19(24)13-9-11-14(21)12-10-13/h4-7,9-12H,2-3,8H2,1H3,(H,22,23)
InChIKeyRRQXJZLOOBAOMS-UHFFFAOYSA-N
MW400.27 g/mol
LogP5.55
Rot. Bonds6

About N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide

N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide (PubChem CID 4289356) has the molecular formula C20H18BrNO3 and a molecular weight of 400.27 g/mol. Its IUPAC name is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide.

Molecular Properties

Compound NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide
PubChem CID4289356
Molecular FormulaC20H18BrNO3
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide
SMILESCCCCC(=O)Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12
InChIInChI=1S/C20H18BrNO3/c1-2-3-8-17(23)22-18-15-6-4-5-7-16(15)25-20(18)19(24)13-9-11-14(21)12-10-13/h4-7,9-12H,2-3,8H2,1H3,(H,22,23)
InChIKeyRRQXJZLOOBAOMS-UHFFFAOYSA-N
XLogP5.55
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.27
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-1-benzofuran-3-yl)pentanamide
CID 3445962
N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289355
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 18848193
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide
CID 4281017
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092513
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 3445915
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(5-fluoro-1-benzofuran-3-yl)acetamide
CID 18860663
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide
CID 4550799
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
methyl 3-[3-(4-bromophenyl)sulfanylpropanoylamino]-1-benzofuran-2-carboxylate
CID 25261499

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide?
The IUPAC name of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide (CID 4289356) is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide.
What is the SMILES notation for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide?
The canonical SMILES for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide is CCCCC(=O)Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12.
What is the InChIKey of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide?
The InChIKey is RRQXJZLOOBAOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO3/c1-2-3-8-17(23)22-18-15-6-4-5-7-16(15)25-20(18)19(24)13-9-11-14(21)12-10-13/h4-7,9-12H,2-3,8H2,1H3,(H,22,23).
What are the key properties of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide?
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide has a molecular weight of 400.27 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide is sourced from PubChem (CID 4289356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).