2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide

C15H15FN4O — CID 100769365

IUPAC2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide
SMILESCCc1c(N)cc(C#N)n1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H15FN4O/c1-2-14-13(18)7-12(8-17)20(14)9-15(21)19-11-5-3-10(16)4-6-11/h3-7H,2,9,18H2,1H3,(H,19,21)
InChIKeyKBLSAPLMCKRDCE-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.28
Rot. Bonds4

About 2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide

2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 100769365) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide
PubChem CID100769365
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide
SMILESCCc1c(N)cc(C#N)n1CC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C15H15FN4O/c1-2-14-13(18)7-12(8-17)20(14)9-15(21)19-11-5-3-10(16)4-6-11/h3-7H,2,9,18H2,1H3,(H,19,21)
InChIKeyKBLSAPLMCKRDCE-UHFFFAOYSA-N
XLogP2.28
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-amino-5-cyano-2-(3-methylbutyl)pyrrol-1-yl]-N-phenylacetamide
CID 100769247
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
CID 5306782
2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 71918815
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
2-[2-amino-4-(methoxymethyl)-6-oxopyrimidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 53201805
2-(2-amino-5-fluorophenyl)sulfanyl-N-(4-cyanophenyl)acetamide
CID 79128503
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018
N-(3-amino-4-chlorophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650291
2-(6-amino-2-methyl-4-oxoquinazolin-3-yl)-N-(4-fluorophenyl)acetamide
CID 1166520
2-[[2-(3-cyanoanilino)-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253306
2-amino-N-(4-ethylphenyl)-4-fluorobenzamide
CID 63109707
2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 829145

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide (CID 100769365) is 2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide is CCc1c(N)cc(C#N)n1CC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is KBLSAPLMCKRDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-2-14-13(18)7-12(8-17)20(14)9-15(21)19-11-5-3-10(16)4-6-11/h3-7H,2,9,18H2,1H3,(H,19,21).
What are the key properties of 2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide?
2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 286.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 100769365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).