N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide

C24H18Cl2N2O5 — CID 1016051

IUPACN-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C24H18Cl2N2O5/c1-31-21-12-16(27-23(29)13-32-20-9-6-15(25)11-17(20)26)7-8-18(21)28-24(30)22-10-14-4-2-3-5-19(14)33-22/h2-12H,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyIQFCJHOZCSEGLT-UHFFFAOYSA-N
MW485.32 g/mol
LogP6.02
Rot. Bonds7

About N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide

N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide (PubChem CID 1016051) has the molecular formula C24H18Cl2N2O5 and a molecular weight of 485.32 g/mol. Its IUPAC name is N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
PubChem CID1016051
Molecular FormulaC24H18Cl2N2O5
Molecular Weight485.32 g/mol
Exact Mass484.06
IUPAC NameN-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C24H18Cl2N2O5/c1-31-21-12-16(27-23(29)13-32-20-9-6-15(25)11-17(20)26)7-8-18(21)28-24(30)22-10-14-4-2-3-5-19(14)33-22/h2-12H,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyIQFCJHOZCSEGLT-UHFFFAOYSA-N
XLogP6.02
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.32
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001
N-[2-methoxy-4-[(2-phenylacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1349630
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21215420
N-(5-chloro-2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7751403
N-[4-[[2-(2-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]furan-2-carboxamide
CID 3161355
N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 3424973
N-[4-[(5-chloro-2-methoxybenzoyl)carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21214827
N-[2-methoxy-4-(2-methylpropanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1256453
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016170
N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016176
N-[2-methyl-4-[(2-phenoxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3278183
N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 3823179

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide (CID 1016051) is N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide is COc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is IQFCJHOZCSEGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O5/c1-31-21-12-16(27-23(29)13-32-20-9-6-15(25)11-17(20)26)7-8-18(21)28-24(30)22-10-14-4-2-3-5-19(14)33-22/h2-12H,13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 485.32 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1016051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).