N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide

C21H21N3O2 — CID 46478145

IUPACN-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C21H21N3O2/c1-3-20(25)22-17-9-6-15(2)19(14-17)23-21(26)16-7-10-18(11-8-16)24-12-4-5-13-24/h4-14H,3H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDWUDXXZLQDWRIJ-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.39
Rot. Bonds5

About N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide

N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide (PubChem CID 46478145) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide
PubChem CID46478145
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide
SMILESCCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C21H21N3O2/c1-3-20(25)22-17-9-6-15(2)19(14-17)23-21(26)16-7-10-18(11-8-16)24-12-4-5-13-24/h4-14H,3H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyDWUDXXZLQDWRIJ-UHFFFAOYSA-N
XLogP4.39
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-4-(propanoylamino)benzamide
CID 17257324
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298
3,5-dichloro-N-[4-[[2-methyl-5-(propanoylamino)phenyl]carbamoyl]phenyl]benzamide
CID 55724997
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-3-(propanoylamino)benzamide
CID 55840659
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-[5-[[2-(butylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54815356
2-methyl-N-[2-methyl-5-(propanoylamino)phenyl]-1,3-benzothiazole-5-carboxamide
CID 131921298
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54829023
N-(5-chloro-2-methylphenyl)-3-(propanoylamino)benzamide
CID 17309672
N-(5-bromo-2-methylphenyl)benzamide;N-(2-methyl-5-pyrrol-1-ylphenyl)benzamide
CID 158601564

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide (CID 46478145) is N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide is CCC(=O)Nc1ccc(C)c(NC(=O)c2ccc(-n3cccc3)cc2)c1.
What is the InChIKey of N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is DWUDXXZLQDWRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-20(25)22-17-9-6-15(2)19(14-17)23-21(26)16-7-10-18(11-8-16)24-12-4-5-13-24/h4-14H,3H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide?
N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 347.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(propanoylamino)phenyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 46478145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).