3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide

C14H14N2O2 — CID 61248263

IUPAC3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide
SMILESCC(=O)CC(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C14H14N2O2/c1-11(17)9-14(18)15-12-5-4-6-13(10-12)16-7-2-3-8-16/h2-8,10H,9H2,1H3,(H,15,18)
InChIKeyHDGQDQGDLXMHEX-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.39
Rot. Bonds4

About 3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide

3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide (PubChem CID 61248263) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide
PubChem CID61248263
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide
SMILESCC(=O)CC(=O)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C14H14N2O2/c1-11(17)9-14(18)15-12-5-4-6-13(10-12)16-7-2-3-8-16/h2-8,10H,9H2,1H3,(H,15,18)
InChIKeyHDGQDQGDLXMHEX-UHFFFAOYSA-N
XLogP2.39
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(3-pyrrol-1-ylphenyl)hexanamide
CID 82852468
N-(4-methoxyphenyl)-2-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]sulfanylacetamide
CID 55979719
(2S)-2-methoxy-N-(3-pyrrol-1-ylphenyl)propanamide
CID 95287186
3-oxo-N-phenylbutanamide
CID 161275903
N-(3-nitrosophenyl)-3-oxobutanamide
CID 163535086
N-methyl-3-(3-oxobutanoylamino)benzamide
CID 18072215
2-naphthalen-1-yl-N-[2-oxo-2-(3-pyrrol-1-ylanilino)ethyl]acetamide
CID 55981651
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide
CID 56584263
3,5-dimethoxy-N-(3-pyrrol-1-ylphenyl)benzamide
CID 110726291
1-(2-phenylethyl)-3-(3-pyrrol-1-ylphenyl)urea
CID 56505271
2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]-N-(3-pyrrol-1-ylphenyl)acetamide
CID 94835011

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide?
The IUPAC name of 3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide (CID 61248263) is 3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide.
What is the SMILES notation for 3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide?
The canonical SMILES for 3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide is CC(=O)CC(=O)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of 3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide?
The InChIKey is HDGQDQGDLXMHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-11(17)9-14(18)15-12-5-4-6-13(10-12)16-7-2-3-8-16/h2-8,10H,9H2,1H3,(H,15,18).
What are the key properties of 3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide?
3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide has a molecular weight of 242.28 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(3-pyrrol-1-ylphenyl)butanamide is sourced from PubChem (CID 61248263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).