4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide

C22H24N2O — CID 18273813

IUPAC4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)NCCCCc2ccccc2)cc1-n1cccc1
InChIInChI=1S/C22H24N2O/c1-18-12-13-20(17-21(18)24-15-7-8-16-24)22(25)23-14-6-5-11-19-9-3-2-4-10-19/h2-4,7-10,12-13,15-17H,5-6,11,14H2,1H3,(H,23,25)
InChIKeyOZNUSRGSJXUAND-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.54
Rot. Bonds7

About 4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide

4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide (PubChem CID 18273813) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide
PubChem CID18273813
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide
SMILESCc1ccc(C(=O)NCCCCc2ccccc2)cc1-n1cccc1
InChIInChI=1S/C22H24N2O/c1-18-12-13-20(17-21(18)24-15-7-8-16-24)22(25)23-14-6-5-11-19-9-3-2-4-10-19/h2-4,7-10,12-13,15-17H,5-6,11,14H2,1H3,(H,23,25)
InChIKeyOZNUSRGSJXUAND-UHFFFAOYSA-N
XLogP4.54
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-fluorophenoxy)propyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18289079
4-methyl-N-prop-2-ynyl-3-pyrrol-1-ylbenzamide
CID 18156699
N-[(4-fluorophenyl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 16591996
N-[2-(ethylamino)-2-oxoethyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 18145864
3-imidazo[4,5-b]pyridin-3-yl-4-methyl-N-(3-phenylpropyl)benzamide
CID 46277287
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
4-hydroxy-3-methoxy-N-(4-phenylbutyl)benzamide
CID 23652768
3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
CID 19353694
N-(2-hydroxyphenyl)-4-methyl-3-pyrrol-1-ylbenzamide
CID 18138394
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799
N,4-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-3-pyrrol-1-ylbenzamide
CID 24596146

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide?
The IUPAC name of 4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide (CID 18273813) is 4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for 4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide?
The canonical SMILES for 4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide is Cc1ccc(C(=O)NCCCCc2ccccc2)cc1-n1cccc1.
What is the InChIKey of 4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide?
The InChIKey is OZNUSRGSJXUAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-18-12-13-20(17-21(18)24-15-7-8-16-24)22(25)23-14-6-5-11-19-9-3-2-4-10-19/h2-4,7-10,12-13,15-17H,5-6,11,14H2,1H3,(H,23,25).
What are the key properties of 4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide?
4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide has a molecular weight of 332.45 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-phenylbutyl)-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 18273813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).