N-propyl-4-pyrrol-1-ylbenzamide

C14H16N2O — CID 24536436

IUPACN-propyl-4-pyrrol-1-ylbenzamide
SMILESCCCNC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C14H16N2O/c1-2-9-15-14(17)12-5-7-13(8-6-12)16-10-3-4-11-16/h3-8,10-11H,2,9H2,1H3,(H,15,17)
InChIKeyFANUXYVEDSVSIW-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.62
Rot. Bonds4

About N-propyl-4-pyrrol-1-ylbenzamide

N-propyl-4-pyrrol-1-ylbenzamide (PubChem CID 24536436) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-propyl-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-propyl-4-pyrrol-1-ylbenzamide
PubChem CID24536436
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-propyl-4-pyrrol-1-ylbenzamide
SMILESCCCNC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C14H16N2O/c1-2-9-15-14(17)12-5-7-13(8-6-12)16-10-3-4-11-16/h3-8,10-11H,2,9H2,1H3,(H,15,17)
InChIKeyFANUXYVEDSVSIW-UHFFFAOYSA-N
XLogP2.62
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-pyrrol-1-yl-N-(2-pyrrol-1-ylethyl)benzamide
CID 110742702
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4-pyrrol-1-ylbenzamide
CID 108542314
N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108542296
4-phenyl-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538421
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
N-[2-(4-fluorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9402673
ethyl 4-oxo-4-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethylamino]butanoate
CID 108573499
4-pyrrol-1-yl-N-(2-thiophen-2-ylethyl)benzamide
CID 27770345
2-methoxy-N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]benzamide
CID 108538081
N-[(3-methyloxetan-3-yl)methyl]-4-pyrrol-1-ylbenzamide
CID 78957044
N-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110310794

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-propyl-4-pyrrol-1-ylbenzamide (CID 24536436) is N-propyl-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-propyl-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-propyl-4-pyrrol-1-ylbenzamide is CCCNC(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-propyl-4-pyrrol-1-ylbenzamide?
The InChIKey is FANUXYVEDSVSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-9-15-14(17)12-5-7-13(8-6-12)16-10-3-4-11-16/h3-8,10-11H,2,9H2,1H3,(H,15,17).
What are the key properties of N-propyl-4-pyrrol-1-ylbenzamide?
N-propyl-4-pyrrol-1-ylbenzamide has a molecular weight of 228.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 24536436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).