N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide

C26H23N3O3 — CID 31910662

IUPACN-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc(-n4cccc4)cc3)cc2)cc1
InChIInChI=1S/C26H23N3O3/c1-32-24-14-10-22(11-15-24)28-26(31)20-6-8-21(9-7-20)27-25(30)18-19-4-12-23(13-5-19)29-16-2-3-17-29/h2-17H,18H2,1H3,(H,27,30)(H,28,31)
InChIKeyQFTDOKRMUQVISF-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.92
Rot. Bonds7

About N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide

N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide (PubChem CID 31910662) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide
PubChem CID31910662
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC NameN-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc(-n4cccc4)cc3)cc2)cc1
InChIInChI=1S/C26H23N3O3/c1-32-24-14-10-22(11-15-24)28-26(31)20-6-8-21(9-7-20)27-25(30)18-19-4-12-23(13-5-19)29-16-2-3-17-29/h2-17H,18H2,1H3,(H,27,30)(H,28,31)
InChIKeyQFTDOKRMUQVISF-UHFFFAOYSA-N
XLogP4.92
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-methoxybenzoyl)-4-pyrrol-1-ylbenzohydrazide
CID 24536054
N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39678341
N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide
CID 8884327
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2677119
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-[4-(2-aminoethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 28754535
N-[4-(2-chloroethyl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 114299189
2-(4-methoxyphenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35590496
N-[2-(4-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 112998708
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide (CID 31910662) is N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc(-n4cccc4)cc3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide?
The InChIKey is QFTDOKRMUQVISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c1-32-24-14-10-22(11-15-24)28-26(31)20-6-8-21(9-7-20)27-25(30)18-19-4-12-23(13-5-19)29-16-2-3-17-29/h2-17H,18H2,1H3,(H,27,30)(H,28,31).
What are the key properties of N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide?
N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide has a molecular weight of 425.49 g/mol, XLogP of 4.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide is sourced from PubChem (CID 31910662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).