N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide

C14H14N2O2 — CID 747773

IUPACN-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide
SMILESCC(=O)Nc1[nH]c(-c2ccccc2)cc1C(C)=O
InChIInChI=1S/C14H14N2O2/c1-9(17)12-8-13(11-6-4-3-5-7-11)16-14(12)15-10(2)18/h3-8,16H,1-2H3,(H,15,18)
InChIKeyKRDWQHYQKKEUNR-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.84
Rot. Bonds3

About N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide

N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide (PubChem CID 747773) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide
PubChem CID747773
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide
SMILESCC(=O)Nc1[nH]c(-c2ccccc2)cc1C(C)=O
InChIInChI=1S/C14H14N2O2/c1-9(17)12-8-13(11-6-4-3-5-7-11)16-14(12)15-10(2)18/h3-8,16H,1-2H3,(H,15,18)
InChIKeyKRDWQHYQKKEUNR-UHFFFAOYSA-N
XLogP2.84
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolo-pyrimidone, 12
CID 135524115
(E)-2-Amino-4-Oxo-6-Styryl-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidine-5-Carbonitrile
CID 135566677
2-Amino-5,6-Diphenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566678
3-Methyl-N-(6-methyl-2-pyridinyl)benzamide
CID 966005
N-[[(6-methyl-2-pyridinyl)amino]-oxomethyl]benzamide
CID 5093257
2-Amino-6-methyl-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135453810
Benzamide, p-amino-N-(6-methyl-2-pyridyl)-
CID 37553
N-(4,6-dimethyl-2-pyridinyl)benzamide
CID 124524
2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 135566498
2-Amino-5-Phenethyl-6-Phenyl-3h-Pyrrolo[2,3-D]pyrimidin-4(7h)-One
CID 135566680
1-[5-(2-Aminophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one
CID 12488974
Pyrrolo-pyrimidone, 13
CID 135524133

Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide?
The IUPAC name of N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide (CID 747773) is N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide.
What is the SMILES notation for N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide?
The canonical SMILES for N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide is CC(=O)Nc1[nH]c(-c2ccccc2)cc1C(C)=O.
What is the InChIKey of N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide?
The InChIKey is KRDWQHYQKKEUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9(17)12-8-13(11-6-4-3-5-7-11)16-14(12)15-10(2)18/h3-8,16H,1-2H3,(H,15,18).
What are the key properties of N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide?
N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide has a molecular weight of 242.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-5-phenyl-1H-pyrrol-2-yl)acetamide is sourced from PubChem (CID 747773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).