3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide

C20H19FN2O — CID 46342666

IUPAC3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1ccccc1NC(=O)CC(c1ccc(F)cc1)n1cccc1
InChIInChI=1S/C20H19FN2O/c1-15-6-2-3-7-18(15)22-20(24)14-19(23-12-4-5-13-23)16-8-10-17(21)11-9-16/h2-13,19H,14H2,1H3,(H,22,24)
InChIKeyAUWFNUBHVNGTNX-UHFFFAOYSA-N
MW322.38 g/mol
LogP4.55
Rot. Bonds5

About 3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide

3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide (PubChem CID 46342666) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
PubChem CID46342666
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
SMILESCc1ccccc1NC(=O)CC(c1ccc(F)cc1)n1cccc1
InChIInChI=1S/C20H19FN2O/c1-15-6-2-3-7-18(15)22-20(24)14-19(23-12-4-5-13-23)16-8-10-17(21)11-9-16/h2-13,19H,14H2,1H3,(H,22,24)
InChIKeyAUWFNUBHVNGTNX-UHFFFAOYSA-N
XLogP4.55
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(2,5-dimethylphenyl)-3-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709223
(3R)-N-(4-fluoro-2-methylphenyl)-3-(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709163
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide
CID 99136888
(3R)-N-(2-chloro-4-fluorophenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709759
(3S)-N-(2-ethoxyphenyl)-3-(2-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709743
N-(4-fluorophenyl)-N'-(2-methylphenyl)propanediamide
CID 108952924
(3R)-3-(3-fluorophenyl)-N-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709390
N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46343061
N-(2-methoxy-3-pyridinyl)-3-phenyl-3-pyrrol-1-ylpropanamide
CID 110204604
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 27736148
(3R)-N-(2-methylphenyl)-3-phenylbutanamide
CID 7946569
(3R)-N,3-bis(4-methoxyphenyl)-3-pyrrol-1-ylpropanamide
CID 92709092

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide (CID 46342666) is 3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide is Cc1ccccc1NC(=O)CC(c1ccc(F)cc1)n1cccc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
The InChIKey is AUWFNUBHVNGTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-15-6-2-3-7-18(15)22-20(24)14-19(23-12-4-5-13-23)16-8-10-17(21)11-9-16/h2-13,19H,14H2,1H3,(H,22,24).
What are the key properties of 3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide?
3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide has a molecular weight of 322.38 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-methylphenyl)-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 46342666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).