N-(2-pyrrol-1-ylphenyl)propanamide

C13H14N2O — CID 4048340

IUPACN-(2-pyrrol-1-ylphenyl)propanamide
SMILESCCC(=O)Nc1ccccc1-n1cccc1
InChIInChI=1S/C13H14N2O/c1-2-13(16)14-11-7-3-4-8-12(11)15-9-5-6-10-15/h3-10H,2H2,1H3,(H,14,16)
InChIKeyYPNOGEROBGCICP-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.83
Rot. Bonds3

About N-(2-pyrrol-1-ylphenyl)propanamide

N-(2-pyrrol-1-ylphenyl)propanamide (PubChem CID 4048340) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-(2-pyrrol-1-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-pyrrol-1-ylphenyl)propanamide
PubChem CID4048340
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-(2-pyrrol-1-ylphenyl)propanamide
SMILESCCC(=O)Nc1ccccc1-n1cccc1
InChIInChI=1S/C13H14N2O/c1-2-13(16)14-11-7-3-4-8-12(11)15-9-5-6-10-15/h3-10H,2H2,1H3,(H,14,16)
InChIKeyYPNOGEROBGCICP-UHFFFAOYSA-N
XLogP2.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
N-(2-acetamidophenyl)propanamide
CID 885895
2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
CID 6602692
N-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide
CID 100991676
N-(2-methylphenyl)propanamide;molecular hydrogen
CID 143153627
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide
CID 645953
N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide
CID 175142313
N-(4-chloro-2-pyrrol-1-ylphenyl)pentanamide
CID 56530685
N-(2-imidazol-1-ylphenyl)decanamide
CID 12911522
N-(2-amino-3-pyridinyl)propanamide
CID 174521549
N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
CID 38300101

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrol-1-ylphenyl)propanamide?
The IUPAC name of N-(2-pyrrol-1-ylphenyl)propanamide (CID 4048340) is N-(2-pyrrol-1-ylphenyl)propanamide.
What is the SMILES notation for N-(2-pyrrol-1-ylphenyl)propanamide?
The canonical SMILES for N-(2-pyrrol-1-ylphenyl)propanamide is CCC(=O)Nc1ccccc1-n1cccc1.
What is the InChIKey of N-(2-pyrrol-1-ylphenyl)propanamide?
The InChIKey is YPNOGEROBGCICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-2-13(16)14-11-7-3-4-8-12(11)15-9-5-6-10-15/h3-10H,2H2,1H3,(H,14,16).
What are the key properties of N-(2-pyrrol-1-ylphenyl)propanamide?
N-(2-pyrrol-1-ylphenyl)propanamide has a molecular weight of 214.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrol-1-ylphenyl)propanamide is sourced from PubChem (CID 4048340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).