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

C20H12BrNO4 — CID 4281017

IUPACN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide
SMILESO=C(Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12)c1ccco1
InChIInChI=1S/C20H12BrNO4/c21-13-9-7-12(8-10-13)18(23)19-17(14-4-1-2-5-15(14)26-19)22-20(24)16-6-3-11-25-16/h1-11H,(H,22,24)
InChIKeyGYEXKRITMUDRKI-UHFFFAOYSA-N
MW410.22 g/mol
LogP5.27
Rot. Bonds4

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

N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide (PubChem CID 4281017) has the molecular formula C20H12BrNO4 and a molecular weight of 410.22 g/mol. Its IUPAC name is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide
PubChem CID4281017
Molecular FormulaC20H12BrNO4
Molecular Weight410.22 g/mol
Exact Mass408.99
IUPAC NameN-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide
SMILESO=C(Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12)c1ccco1
InChIInChI=1S/C20H12BrNO4/c21-13-9-7-12(8-10-13)18(23)19-17(14-4-1-2-5-15(14)26-19)22-20(24)16-6-3-11-25-16/h1-11H,(H,22,24)
InChIKeyGYEXKRITMUDRKI-UHFFFAOYSA-N
XLogP5.27
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.22
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]pentanamide
CID 4289356
N-[2-(furan-2-carbonyl)-1-benzofuran-3-yl]pyridine-2-carboxamide
CID 17471550
3-(furan-2-carbonylamino)-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875399
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-(2-methylpropoxy)benzamide
CID 4092513
N-[2-(furan-2-carbonyl)-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 2465499
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-4-chloro-3-nitrobenzamide
CID 3445710
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]-3,5-dichloro-4-ethoxybenzamide
CID 3445856
N-(3,4-dimethylphenyl)-3-(furan-2-carbonylamino)-1-benzofuran-2-carboxamide
CID 7501964
N-[2-[(R)-(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 92500941
N-[2-[(4-bromophenyl)-piperidin-1-ylmethyl]-1-benzofuran-3-yl]furan-2-carboxamide
CID 46270001
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide (CID 4281017) is N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide is O=C(Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12)c1ccco1.
What is the InChIKey of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide?
The InChIKey is GYEXKRITMUDRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrNO4/c21-13-9-7-12(8-10-13)18(23)19-17(14-4-1-2-5-15(14)26-19)22-20(24)16-6-3-11-25-16/h1-11H,(H,22,24).
What are the key properties of N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide?
N-[2-(4-bromobenzoyl)-1-benzofuran-3-yl]furan-2-carboxamide has a molecular weight of 410.22 g/mol, XLogP of 5.27, 4 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]furan-2-carboxamide is sourced from PubChem (CID 4281017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).