3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide

C22H14BrFN2O3 — CID 16814568

IUPAC3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12)c1ccccc1Br
InChIInChI=1S/C22H14BrFN2O3/c23-17-7-3-1-5-15(17)21(27)26-19-16-6-2-4-8-18(16)29-20(19)22(28)25-14-11-9-13(24)10-12-14/h1-12H,(H,25,28)(H,26,27)
InChIKeyVXHMYUCPTQLVDU-UHFFFAOYSA-N
MW453.27 g/mol
LogP5.84
Rot. Bonds4

About 3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide

3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide (PubChem CID 16814568) has the molecular formula C22H14BrFN2O3 and a molecular weight of 453.27 g/mol. Its IUPAC name is 3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
PubChem CID16814568
Molecular FormulaC22H14BrFN2O3
Molecular Weight453.27 g/mol
Exact Mass452.02
IUPAC Name3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
SMILESO=C(Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12)c1ccccc1Br
InChIInChI=1S/C22H14BrFN2O3/c23-17-7-3-1-5-15(17)21(27)26-19-16-6-2-4-8-18(16)29-20(19)22(28)25-14-11-9-13(24)10-12-14/h1-12H,(H,25,28)(H,26,27)
InChIKeyVXHMYUCPTQLVDU-UHFFFAOYSA-N
XLogP5.84
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.27
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-formamido-1-benzofuran-2-carboxamide
CID 142812091
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
3-(cyclopentanecarbonylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 3241032
N-[2-[(4-fluorophenyl)carbamoyl]-1-benzofuran-3-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 46300000
N-(4-fluorophenyl)-3-[[2-(3-methylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875320
N-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875169
3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 16817556
3-[[4-(dimethylamino)cyclohexanecarbonyl]amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 10238043
3-[(2-ethoxybenzoyl)amino]-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 20875259
2-bromo-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]benzamide
CID 1010684
3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7204931
3-acetamido-N-(4-ethylphenyl)-1-benzofuran-2-carboxamide
CID 7501768

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide (CID 16814568) is 3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide is O=C(Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12)c1ccccc1Br.
What is the InChIKey of 3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide?
The InChIKey is VXHMYUCPTQLVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrFN2O3/c23-17-7-3-1-5-15(17)21(27)26-19-16-6-2-4-8-18(16)29-20(19)22(28)25-14-11-9-13(24)10-12-14/h1-12H,(H,25,28)(H,26,27).
What are the key properties of 3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide?
3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide has a molecular weight of 453.27 g/mol, XLogP of 5.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16814568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).