N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide

C19H18N2O — CID 22567008

IUPACN-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
SMILESCc1ccc(CNC(=O)c2ccccc2-n2cccc2)cc1
InChIInChI=1S/C19H18N2O/c1-15-8-10-16(11-9-15)14-20-19(22)17-6-2-3-7-18(17)21-12-4-5-13-21/h2-13H,14H2,1H3,(H,20,22)
InChIKeyLCCOBAAVLIEXLM-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.72
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide

N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide (PubChem CID 22567008) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
PubChem CID22567008
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
SMILESCc1ccc(CNC(=O)c2ccccc2-n2cccc2)cc1
InChIInChI=1S/C19H18N2O/c1-15-8-10-16(11-9-15)14-20-19(22)17-6-2-3-7-18(17)21-12-4-5-13-21/h2-13H,14H2,1H3,(H,20,22)
InChIKeyLCCOBAAVLIEXLM-UHFFFAOYSA-N
XLogP3.72
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[(4-methylphenyl)methyl]benzamide
CID 168517927
N-benzyl-N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 59800755
2-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 4080899
3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892672
ethyl 2-pyrrol-1-ylbenzoate
CID 12673310
N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide
CID 29139340
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
N-[(4-methylphenyl)methyl]indolizine-2-carboxamide
CID 46388289
2-[(2,2-dichloroacetyl)amino]-N-[(4-methylphenyl)methyl]benzamide
CID 17319950
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
2,6-difluoro-N-[(4-methylphenyl)methyl]benzamide
CID 8781288
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide (CID 22567008) is N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide is Cc1ccc(CNC(=O)c2ccccc2-n2cccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide?
The InChIKey is LCCOBAAVLIEXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-15-8-10-16(11-9-15)14-20-19(22)17-6-2-3-7-18(17)21-12-4-5-13-21/h2-13H,14H2,1H3,(H,20,22).
What are the key properties of N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide?
N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide has a molecular weight of 290.37 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-pyrrol-1-ylbenzamide is sourced from PubChem (CID 22567008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).