N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide

C20H20N2O — CID 3450934

IUPACN-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C20H20N2O/c1-15-11-16(2)13-18(12-15)21-20(23)14-17-5-7-19(8-6-17)22-9-3-4-10-22/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyYVMALNOEEGPGDM-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.28
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide

N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 3450934) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID3450934
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cc2ccc(-n3cccc3)cc2)c1
InChIInChI=1S/C20H20N2O/c1-15-11-16(2)13-18(12-15)21-20(23)14-17-5-7-19(8-6-17)22-9-3-4-10-22/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyYVMALNOEEGPGDM-UHFFFAOYSA-N
XLogP4.28
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47172440
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)acetamide
CID 11839743
N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]pyridine-4-carboxamide
CID 39678341
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46465417
N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 52668609
N-(4-methoxyphenyl)-4-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]benzamide
CID 31910662
N-[3-[[2-(4-pyrrol-1-ylphenyl)acetyl]amino]phenyl]furan-2-carboxamide
CID 46402705
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
N-prop-2-ynyl-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46407605
2-[4-[(4-pyrrol-1-ylphenyl)carbamoylamino]phenyl]acetic acid
CID 108886748
N-(3-methylphenyl)-2-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110649572

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide (CID 3450934) is N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide is Cc1cc(C)cc(NC(=O)Cc2ccc(-n3cccc3)cc2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is YVMALNOEEGPGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-15-11-16(2)13-18(12-15)21-20(23)14-17-5-7-19(8-6-17)22-9-3-4-10-22/h3-13H,14H2,1-2H3,(H,21,23).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide?
N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 304.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 3450934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).