3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide

C22H14ClFN2O3 — CID 7159647

IUPAC3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C22H14ClFN2O3/c23-15-10-6-11-16(24)18(15)21(27)26-19-14-9-4-5-12-17(14)29-20(19)22(28)25-13-7-2-1-3-8-13/h1-12H,(H,25,28)(H,26,27)
InChIKeyWXOHKJMVJZZDJK-UHFFFAOYSA-N
MW408.82 g/mol
LogP5.73
Rot. Bonds4

About 3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide

3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide (PubChem CID 7159647) has the molecular formula C22H14ClFN2O3 and a molecular weight of 408.82 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
PubChem CID7159647
Molecular FormulaC22H14ClFN2O3
Molecular Weight408.82 g/mol
Exact Mass408.07
IUPAC Name3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C22H14ClFN2O3/c23-15-10-6-11-16(24)18(15)21(27)26-19-14-9-4-5-12-17(14)29-20(19)22(28)25-13-7-2-1-3-8-13/h1-12H,(H,25,28)(H,26,27)
InChIKeyWXOHKJMVJZZDJK-UHFFFAOYSA-N
XLogP5.73
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.82
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(cyclopropanecarbonylamino)-1-benzofuran-2-carboxamide
CID 7200191
3-[(2-naphthalen-1-ylacetyl)amino]-N-phenyl-1-benzofuran-2-carboxamide
CID 16814293
3-benzamido-N-(3,4-difluorophenyl)-1-benzofuran-2-carboxamide
CID 7204931
3-[(2-chlorobenzoyl)amino]-N-[4-(trifluoromethoxy)phenyl]-1-benzofuran-2-carboxamide
CID 16817556
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
3-[(2,2-diphenylacetyl)amino]-N-(2-fluorophenyl)-1-benzofuran-2-carboxamide
CID 16814504
N-phenyl-3-[[2-(4-phenylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16814295
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-formamido-1-benzofuran-2-carboxamide
CID 142812091
3-(butanoylamino)-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 7117000
3-[(2-bromobenzoyl)amino]-N-(4-fluorophenyl)-1-benzofuran-2-carboxamide
CID 16814568

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide (CID 7159647) is 3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide is O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide?
The InChIKey is WXOHKJMVJZZDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN2O3/c23-15-10-6-11-16(24)18(15)21(27)26-19-14-9-4-5-12-17(14)29-20(19)22(28)25-13-7-2-1-3-8-13/h1-12H,(H,25,28)(H,26,27).
What are the key properties of 3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide?
3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide has a molecular weight of 408.82 g/mol, XLogP of 5.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorobenzoyl)amino]-N-phenyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7159647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).