N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide

C22H23N3O2 — CID 24596146

IUPACN,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccc(C)c(-n3cccc3)c2)cc1
InChIInChI=1S/C22H23N3O2/c1-16-6-9-19(14-20(16)25-12-4-5-13-25)22(27)24(3)15-17-7-10-18(11-8-17)21(26)23-2/h4-14H,15H2,1-3H3,(H,23,26)
InChIKeyJIMBNOOAXCTFSX-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.42
Rot. Bonds5

About N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide

N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide (PubChem CID 24596146) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide
PubChem CID24596146
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccc(C)c(-n3cccc3)c2)cc1
InChIInChI=1S/C22H23N3O2/c1-16-6-9-19(14-20(16)25-12-4-5-13-25)22(27)24(3)15-17-7-10-18(11-8-17)21(26)23-2/h4-14H,15H2,1-3H3,(H,23,26)
InChIKeyJIMBNOOAXCTFSX-UHFFFAOYSA-N
XLogP3.42
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N,4-dimethyl-3-pyrrol-1-ylbenzamide
CID 18135649
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
4-[[[4-[ethyl(methyl)amino]benzoyl]-methylamino]methyl]-N-methylbenzamide
CID 51094891
N,3-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-nitrobenzamide
CID 8964575
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
CID 8967371
4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide
CID 18273813
N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 16591996
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-9H-fluorene-2-carboxamide
CID 38741293
5-(dimethylsulfamoyl)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 8966841
4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide
CID 18156699
3-benzamido-N,4-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 46409799
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-[methyl-(4-methylphenyl)sulfamoyl]benzamide
CID 26722152

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide?
The IUPAC name of N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide (CID 24596146) is N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide is CNC(=O)c1ccc(CN(C)C(=O)c2ccc(C)c(-n3cccc3)c2)cc1.
What is the InChIKey of N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide?
The InChIKey is JIMBNOOAXCTFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-6-9-19(14-20(16)25-12-4-5-13-25)22(27)24(3)15-17-7-10-18(11-8-17)21(26)23-2/h4-14H,15H2,1-3H3,(H,23,26).
What are the key properties of N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide?
N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 24596146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).