N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide

C30H26N4O2 — CID 118529854

IUPACN-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide
SMILESCNC(=O)c1ccccc1-c1c[nH]c(-c2cccc(-c3cc(-c4ccccc4C(=O)NC)c[nH]3)c2)c1
InChIInChI=1S/C30H26N4O2/c1-31-29(35)25-12-5-3-10-23(25)21-15-27(33-17-21)19-8-7-9-20(14-19)28-16-22(18-34-28)24-11-4-6-13-26(24)30(36)32-2/h3-18,33-34H,1-2H3,(H,31,35)(H,32,36)
InChIKeySNQBBHPVPSGOCN-UHFFFAOYSA-N
MW474.56 g/mol
LogP5.73
Rot. Bonds6

About N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide

N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide (PubChem CID 118529854) has the molecular formula C30H26N4O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide
PubChem CID118529854
Molecular FormulaC30H26N4O2
Molecular Weight474.56 g/mol
Exact Mass474.21
IUPAC NameN-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide
SMILESCNC(=O)c1ccccc1-c1c[nH]c(-c2cccc(-c3cc(-c4ccccc4C(=O)NC)c[nH]3)c2)c1
InChIInChI=1S/C30H26N4O2/c1-31-29(35)25-12-5-3-10-23(25)21-15-27(33-17-21)19-8-7-9-20(14-19)28-16-22(18-34-28)24-11-4-6-13-26(24)30(36)32-2/h3-18,33-34H,1-2H3,(H,31,35)(H,32,36)
InChIKeySNQBBHPVPSGOCN-UHFFFAOYSA-N
XLogP5.73
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[5-[3-[4-(2-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone
CID 135225657
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N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide
CID 171673970
N-methyl-2-(4-nitrophenyl)benzamide
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1-[4-[5-[3-[4-(4-acetylphenyl)-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]phenyl]ethanone
CID 118529858
N-methyl-2-[3-[[4-[2-(methylamino)-2-oxoethyl]phenyl]carbamoyl]phenyl]benzamide
CID 169421607
N,5-dimethyl-2-phenylbenzamide
CID 154716266
2-(ethylamino)-N-methyl-3-phenylbenzamide
CID 68748866
N-methyl-9,10-dioxoanthracene-1-carboxamide
CID 71365214
N,2-dimethyl-3-(2-methylphenyl)benzamide
CID 154015357
N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 1247975
N-hydroxy-2-[3-(4-methylthiophen-3-yl)phenyl]benzamide
CID 58121047

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide?
The IUPAC name of N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide (CID 118529854) is N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide.
What is the SMILES notation for N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide?
The canonical SMILES for N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide is CNC(=O)c1ccccc1-c1c[nH]c(-c2cccc(-c3cc(-c4ccccc4C(=O)NC)c[nH]3)c2)c1.
What is the InChIKey of N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide?
The InChIKey is SNQBBHPVPSGOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2/c1-31-29(35)25-12-5-3-10-23(25)21-15-27(33-17-21)19-8-7-9-20(14-19)28-16-22(18-34-28)24-11-4-6-13-26(24)30(36)32-2/h3-18,33-34H,1-2H3,(H,31,35)(H,32,36).
What are the key properties of N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide?
N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide has a molecular weight of 474.56 g/mol, XLogP of 5.73, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[3-[4-[2-(methylcarbamoyl)phenyl]-1H-pyrrol-2-yl]phenyl]-1H-pyrrol-3-yl]benzamide is sourced from PubChem (CID 118529854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).