3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide

C18H23FN2O — CID 110791942

IUPAC3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
SMILESCc1cc(CCNC(=O)CCc2ccccc2F)c(C)n1C
InChIInChI=1S/C18H23FN2O/c1-13-12-16(14(2)21(13)3)10-11-20-18(22)9-8-15-6-4-5-7-17(15)19/h4-7,12H,8-11H2,1-3H3,(H,20,22)
InChIKeyVHTNKGWCCJXOFP-UHFFFAOYSA-N
MW302.39 g/mol
LogP3.07
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide

3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide (PubChem CID 110791942) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
PubChem CID110791942
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
SMILESCc1cc(CCNC(=O)CCc2ccccc2F)c(C)n1C
InChIInChI=1S/C18H23FN2O/c1-13-12-16(14(2)21(13)3)10-11-20-18(22)9-8-15-6-4-5-7-17(15)19/h4-7,12H,8-11H2,1-3H3,(H,20,22)
InChIKeyVHTNKGWCCJXOFP-UHFFFAOYSA-N
XLogP3.07
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide
CID 110641432
N-[2-(2-fluorophenyl)ethyl]-3-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110683427
2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
CID 110791950
3-(3-chloro-4-methylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanamide
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3-(2-fluorophenyl)-N-pentylpropanamide
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2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
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N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(2-fluorophenyl)propanamide
CID 110627058
N-[2-(2-fluorophenyl)ethyl]-3-(2-methyl-1,3-thiazol-4-yl)propanamide
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3-(N-acetyl-3,4-dimethylanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
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3-(2-fluorophenyl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 94871823

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide (CID 110791942) is 3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide is Cc1cc(CCNC(=O)CCc2ccccc2F)c(C)n1C.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide?
The InChIKey is VHTNKGWCCJXOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c1-13-12-16(14(2)21(13)3)10-11-20-18(22)9-8-15-6-4-5-7-17(15)19/h4-7,12H,8-11H2,1-3H3,(H,20,22).
What are the key properties of 3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide?
3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide has a molecular weight of 302.39 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]propanamide is sourced from PubChem (CID 110791942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).