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

C25H19BrFNO4 — CID 4550799

IUPACN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12
InChIInChI=1S/C25H19BrFNO4/c1-2-19(31-21-10-6-4-8-18(21)27)25(30)28-22-17-7-3-5-9-20(17)32-24(22)23(29)15-11-13-16(26)14-12-15/h3-14,19H,2H2,1H3,(H,28,30)
InChIKeyWRDVDRUVXIDJAO-UHFFFAOYSA-N
MW496.33 g/mol
LogP6.36
Rot. Bonds7

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

N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide (PubChem CID 4550799) has the molecular formula C25H19BrFNO4 and a molecular weight of 496.33 g/mol. Its IUPAC name is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide
PubChem CID4550799
Molecular FormulaC25H19BrFNO4
Molecular Weight496.33 g/mol
Exact Mass495.05
IUPAC NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12
InChIInChI=1S/C25H19BrFNO4/c1-2-19(31-21-10-6-4-8-18(21)27)25(30)28-22-17-7-3-5-9-20(17)32-24(22)23(29)15-11-13-16(26)14-12-15/h3-14,19H,2H2,1H3,(H,28,30)
InChIKeyWRDVDRUVXIDJAO-UHFFFAOYSA-N
XLogP6.36
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.33
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)butanamide
CID 4550795
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289356
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092513
(2R)-N-(2,6-dimethylphenyl)-2-(2-fluorophenoxy)butanamide
CID 40746709
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide
CID 3445856
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
(2S)-2-(3,4-dimethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137460
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-butoxy-3,5-dichlorobenzamide
CID 18848193
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]furan-2-carboxamide
CID 4281017
(2R)-N-(4-acetamidophenyl)-2-(2-fluorophenoxy)butanamide
CID 9180312
(2S)-N-(4-bromophenyl)-2-naphthalen-1-yloxybutanamide
CID 30387662

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide?
The IUPAC name of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide (CID 4550799) is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide is CCC(Oc1ccccc1F)C(=O)Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12.
What is the InChIKey of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide?
The InChIKey is WRDVDRUVXIDJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrFNO4/c1-2-19(31-21-10-6-4-8-18(21)27)25(30)28-22-17-7-3-5-9-20(17)32-24(22)23(29)15-11-13-16(26)14-12-15/h3-14,19H,2H2,1H3,(H,28,30).
What are the key properties of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide?
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide has a molecular weight of 496.33 g/mol, XLogP of 6.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-2-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 4550799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).