4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide

C16H20N2O — CID 41360035

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C16H20N2O/c1-11(2)17-16(19)14-7-9-15(10-8-14)18-12(3)5-6-13(18)4/h5-11H,1-4H3,(H,17,19)
InChIKeyKGSURSFRRRKAKE-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.23
Rot. Bonds3

About 4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide

4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide (PubChem CID 41360035) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide
PubChem CID41360035
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide
SMILESCc1ccc(C)n1-c1ccc(C(=O)NC(C)C)cc1
InChIInChI=1S/C16H20N2O/c1-11(2)17-16(19)14-7-9-15(10-8-14)18-12(3)5-6-13(18)4/h5-11H,1-4H3,(H,17,19)
InChIKeyKGSURSFRRRKAKE-UHFFFAOYSA-N
XLogP3.23
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 41337865
4-(2,5-dimethylpyrrol-1-yl)-N-(1-pyridin-4-ylethyl)benzamide
CID 24639260
4-(2,5-dimethylpyrrol-1-yl)-N-(2-methoxyethyl)benzamide
CID 30281157
[1-[2-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]urea
CID 42905279
4-chloro-N-propan-2-ylbenzamide
CID 24045
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 2662988
4-(2,5-dimethylpyrrol-1-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 2576736
[(2S)-1-amino-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7275011
4-amino-N-propan-2-ylbenzamide;ethane
CID 144913195
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(2,5-dimethylpyrrol-1-yl)benzoate
CID 7274992
N-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 86579706

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide (CID 41360035) is 4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide is Cc1ccc(C)n1-c1ccc(C(=O)NC(C)C)cc1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide?
The InChIKey is KGSURSFRRRKAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11(2)17-16(19)14-7-9-15(10-8-14)18-12(3)5-6-13(18)4/h5-11H,1-4H3,(H,17,19).
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide?
4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide has a molecular weight of 256.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 41360035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).