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

C18H21FN4O — CID 100769331

IUPAC2-(3-amino-5-cyano-2-pentylpyrrol-1-yl)-N-(2-fluorophenyl)acetamide
SMILESCCCCCc1c(N)cc(C#N)n1CC(=O)Nc1ccccc1F
InChIInChI=1S/C18H21FN4O/c1-2-3-4-9-17-15(21)10-13(11-20)23(17)12-18(24)22-16-8-6-5-7-14(16)19/h5-8,10H,2-4,9,12,21H2,1H3,(H,22,24)
InChIKeySRGVMOSBISRRCR-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.45
Rot. Bonds7

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

2-(3-amino-5-cyano-2-pentylpyrrol-1-yl)-N-(2-fluorophenyl)acetamide (PubChem CID 100769331) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(3-amino-5-cyano-2-pentylpyrrol-1-yl)-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-5-cyano-2-pentylpyrrol-1-yl)-N-(2-fluorophenyl)acetamide
PubChem CID100769331
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name2-(3-amino-5-cyano-2-pentylpyrrol-1-yl)-N-(2-fluorophenyl)acetamide
SMILESCCCCCc1c(N)cc(C#N)n1CC(=O)Nc1ccccc1F
InChIInChI=1S/C18H21FN4O/c1-2-3-4-9-17-15(21)10-13(11-20)23(17)12-18(24)22-16-8-6-5-7-14(16)19/h5-8,10H,2-4,9,12,21H2,1H3,(H,22,24)
InChIKeySRGVMOSBISRRCR-UHFFFAOYSA-N
XLogP3.45
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-5-cyano-2-ethylpyrrol-1-yl)-N-(4-fluorophenyl)acetamide
CID 100769365
N-(2-fluorophenyl)hexanamide
CID 3481165
2-(3-cyano-6-methyl-2-oxo-1-pyridinyl)-N-(2-fluorophenyl)acetamide
CID 82099362
N-(2-fluorophenyl)-2-(octylamino)acetamide
CID 78914339
ethyl 3-(2-fluoroanilino)-3-oxopropanoate;2-fluoroaniline
CID 158628580
N-(2-fluorophenyl)butanamide
CID 849021
N-[2-(2-fluoroanilino)-2-oxoethyl]nonanamide
CID 42765956
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
N-[2-(2-fluoroanilino)-2-oxoethyl]pentanamide
CID 42765949
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 7748871
N-[3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]phenyl]hexanamide
CID 54842530

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-5-cyano-2-pentylpyrrol-1-yl)-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(3-amino-5-cyano-2-pentylpyrrol-1-yl)-N-(2-fluorophenyl)acetamide (CID 100769331) is 2-(3-amino-5-cyano-2-pentylpyrrol-1-yl)-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-amino-5-cyano-2-pentylpyrrol-1-yl)-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-amino-5-cyano-2-pentylpyrrol-1-yl)-N-(2-fluorophenyl)acetamide is CCCCCc1c(N)cc(C#N)n1CC(=O)Nc1ccccc1F.
What is the InChIKey of 2-(3-amino-5-cyano-2-pentylpyrrol-1-yl)-N-(2-fluorophenyl)acetamide?
The InChIKey is SRGVMOSBISRRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-2-3-4-9-17-15(21)10-13(11-20)23(17)12-18(24)22-16-8-6-5-7-14(16)19/h5-8,10H,2-4,9,12,21H2,1H3,(H,22,24).
What are the key properties of 2-(3-amino-5-cyano-2-pentylpyrrol-1-yl)-N-(2-fluorophenyl)acetamide?
2-(3-amino-5-cyano-2-pentylpyrrol-1-yl)-N-(2-fluorophenyl)acetamide has a molecular weight of 328.39 g/mol, XLogP of 3.45, 7 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-pentylpyrrol-1-yl)-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 100769331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).