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

C30H24N2O4 — CID 1016176

IUPACN-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C30H24N2O4/c1-35-26-19-23(16-17-24(26)32-29(33)27-18-22-14-8-9-15-25(22)36-27)31-30(34)28(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-19,28H,1H3,(H,31,34)(H,32,33)
InChIKeyGTKLZSJZQACZRA-UHFFFAOYSA-N
MW476.53 g/mol
LogP6.46
Rot. Bonds7

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

N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide (PubChem CID 1016176) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
PubChem CID1016176
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC NameN-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C30H24N2O4/c1-35-26-19-23(16-17-24(26)32-29(33)27-18-22-14-8-9-15-25(22)36-27)31-30(34)28(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-19,28H,1H3,(H,31,34)(H,32,33)
InChIKeyGTKLZSJZQACZRA-UHFFFAOYSA-N
XLogP6.46
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methoxy-4-[(2-phenylacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1349630
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-[2-methoxy-4-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 2958483
N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 1227074
N-[2-methoxy-4-[(2-nitrobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 3861071
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001
N-[4-[(2-iodobenzoyl)carbamothioylamino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 3551770
N-[4-[[2-(1-adamantyl)acetyl]amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 3424973
N-[4-[(2-chloro-5-nitrobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 3823179
N-[4-[(3-methoxynaphthalene-2-carbonyl)amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 21213329
N-[2-methoxy-4-[(3-methoxybenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 1337055

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide (CID 1016176) is N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide is COc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is GTKLZSJZQACZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4/c1-35-26-19-23(16-17-24(26)32-29(33)27-18-22-14-8-9-15-25(22)36-27)31-30(34)28(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-19,28H,1H3,(H,31,34)(H,32,33).
What are the key properties of N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide?
N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 6.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,2-diphenylacetyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 1016176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).