N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide

C21H21N3O2 — CID 25102417

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cccc(-n3cccc3)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-16-8-10-18(11-9-16)22-20(25)15-23(2)21(26)17-6-5-7-19(14-17)24-12-3-4-13-24/h3-14H,15H2,1-2H3,(H,22,25)
InChIKeyLCYBVSOFHBBEEE-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.50
Rot. Bonds5

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide (PubChem CID 25102417) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide
PubChem CID25102417
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)c2cccc(-n3cccc3)c2)cc1
InChIInChI=1S/C21H21N3O2/c1-16-8-10-18(11-9-16)22-20(25)15-23(2)21(26)17-6-5-7-19(14-17)24-12-3-4-13-24/h3-14H,15H2,1-2H3,(H,22,25)
InChIKeyLCYBVSOFHBBEEE-UHFFFAOYSA-N
XLogP3.50
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2S)-N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-2-(pyridin-3-yl)cyclopropane-1-carboxamide
CID 134814226
N-methyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
CID 16110287
4-Pentyl-N-pyridin-3-yl-benzamide
CID 2796370
4-butyl-N-(pyridin-3-yl)benzamide
CID 4286311
N-(3,3-Dimethyl-butyl)-4-indol-1-yl-benzamide
CID 11023651
N-benzyl-N-methyl-1H-pyrrole-2-carboxamide
CID 11085165
N-(6-Oxo-1,6-Dihydro-3,4'-Bipyridin-5-Yl)-4-(Piperidin-1-Yl)benzamide
CID 52936434
4-Acetamido-N-(2-amino-5-(pyridin-4-yl)phenyl)benzamide
CID 118987449
3-[6-(But-3-En-1-Yl)-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl]-N,N-Dimethylbenzamide
CID 119081691
N,N-Dimethyl-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)benzamide
CID 119081692
3-{6-[(2e)-But-2-En-1-Yl]-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl}-N,N-Dimethylbenzamide
CID 121335190
3-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide
CID 947451

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide (CID 25102417) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide is Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(-n3cccc3)c2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide?
The InChIKey is LCYBVSOFHBBEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-16-8-10-18(11-9-16)22-20(25)15-23(2)21(26)17-6-5-7-19(14-17)24-12-3-4-13-24/h3-14H,15H2,1-2H3,(H,22,25).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide has a molecular weight of 347.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 25102417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).