N-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide

C25H22N2O2 — CID 161413268

IUPACN-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2=NC(Cc3ccccc3)=C(c3ccccc3)C2)cc1
InChIInChI=1S/C25H22N2O2/c1-29-21-14-12-20(13-15-21)25(28)27-24-17-22(19-10-6-3-7-11-19)23(26-24)16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3,(H,26,27,28)
InChIKeyVVTFKECCNZBLLY-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.88
Rot. Bonds5

About N-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide

N-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide (PubChem CID 161413268) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide
PubChem CID161413268
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC NameN-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2=NC(Cc3ccccc3)=C(c3ccccc3)C2)cc1
InChIInChI=1S/C25H22N2O2/c1-29-21-14-12-20(13-15-21)25(28)27-24-17-22(19-10-6-3-7-11-19)23(26-24)16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3,(H,26,27,28)
InChIKeyVVTFKECCNZBLLY-UHFFFAOYSA-N
XLogP4.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-benzyl-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide
CID 126744189
4-methoxy-N-[2-[[2-[(4-methoxybenzoyl)amino]phenyl]ditellanyl]phenyl]benzamide
CID 135052422
N-[5-benzyl-4-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-chlorobenzamide
CID 135349193
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
4-methoxy-N-(4-phenyl-1,2-oxazol-5-yl)benzamide
CID 110402060
4-methoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983237
N-benzyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84555626
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
N'-(3-benzylquinoxalin-2-yl)-4-methoxybenzohydrazide
CID 118731256
2-[2-[(4-methoxybenzoyl)amino]phenyl]acetic acid
CID 62535136
1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
CID 153316064
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide (CID 161413268) is N-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide is COc1ccc(C(=O)NC2=NC(Cc3ccccc3)=C(c3ccccc3)C2)cc1.
What is the InChIKey of N-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide?
The InChIKey is VVTFKECCNZBLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-29-21-14-12-20(13-15-21)25(28)27-24-17-22(19-10-6-3-7-11-19)23(26-24)16-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3,(H,26,27,28).
What are the key properties of N-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide?
N-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide has a molecular weight of 382.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-4-phenyl-3H-pyrrol-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 161413268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).