N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide

C26H24N2O3 — CID 22775944

IUPACN-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1
InChIInChI=1S/C26H24N2O3/c1-26(2,3)19-13-11-17(12-14-19)24(29)27-20-8-6-9-21(16-20)28-25(30)23-15-18-7-4-5-10-22(18)31-23/h4-16H,1-3H3,(H,27,29)(H,28,30)
InChIKeyVGJUZCFGNYHXNI-UHFFFAOYSA-N
MW412.49 g/mol
LogP6.23
Rot. Bonds4

About N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide

N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 22775944) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID22775944
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1
InChIInChI=1S/C26H24N2O3/c1-26(2,3)19-13-11-17(12-14-19)24(29)27-20-8-6-9-21(16-20)28-25(30)23-15-18-7-4-5-10-22(18)31-23/h4-16H,1-3H3,(H,27,29)(H,28,30)
InChIKeyVGJUZCFGNYHXNI-UHFFFAOYSA-N
XLogP6.23
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(3-chlorobenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 1136389
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
N-[3-[(4-propan-2-ylbenzoyl)carbamothioylamino]phenyl]-1-benzofuran-2-carboxamide
CID 17103113
N-[3-[(2-cyanoacetyl)amino]phenyl]-1-benzofuran-2-carboxamide
CID 168521643
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-[3-(thiophene-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 1232080
4-tert-butyl-N-(3-tert-butylphenyl)benzamide
CID 170716267
N-[3-[(4-bromobenzoyl)amino]phenyl]-4-tert-butylbenzamide
CID 3100149
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3659488
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911455
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795599
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide (CID 22775944) is N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide is CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1.
What is the InChIKey of N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is VGJUZCFGNYHXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-26(2,3)19-13-11-17(12-14-19)24(29)27-20-8-6-9-21(16-20)28-25(30)23-15-18-7-4-5-10-22(18)31-23/h4-16H,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 6.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 22775944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).