N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide

C25H22N2O4 — CID 22776254

IUPACN-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(C)c1
InChIInChI=1S/C25H22N2O4/c1-16-7-12-21(17(2)13-16)30-15-24(28)26-19-8-10-20(11-9-19)27-25(29)23-14-18-5-3-4-6-22(18)31-23/h3-14H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyKDTYEJPYEVMGOI-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.32
Rot. Bonds6

About N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide

N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 22776254) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID22776254
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC NameN-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(C)c1
InChIInChI=1S/C25H22N2O4/c1-16-7-12-21(17(2)13-16)30-15-24(28)26-19-8-10-20(11-9-19)27-25(29)23-14-18-5-3-4-6-22(18)31-23/h3-14H,15H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyKDTYEJPYEVMGOI-UHFFFAOYSA-N
XLogP5.32
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(2,4-dimethylphenoxy)acetyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21215394
N-[4-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 22780436
N-[4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 3576471
2-(2,4-dimethylphenoxy)-N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 1221790
[2-(1-benzofuran-2-yl)-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815189
N-[2-(4-methylanilino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 20857004
N-[2-methyl-4-[(2-phenoxyacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3278183
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]carbamothioylamino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21215420
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-3,4-dimethoxybenzamide
CID 108935771
2-(2,4-dimethylphenoxy)-N-[4-[(5-methyl-1,3-benzoxazol-2-yl)methyl]phenyl]acetamide
CID 54858705
N-[4-[2-(methoxyamino)-2-oxoethyl]phenyl]-1-benzofuran-2-carboxamide
CID 60572574
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide (CID 22776254) is N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide is Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(C)c1.
What is the InChIKey of N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is KDTYEJPYEVMGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-16-7-12-21(17(2)13-16)30-15-24(28)26-19-8-10-20(11-9-19)27-25(29)23-14-18-5-3-4-6-22(18)31-23/h3-14H,15H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide?
N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,4-dimethylphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22776254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).