2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide

C15H17FN2O — CID 53147943

IUPAC2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1cccn1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O/c1-11(2)17-15(19)10-14-4-3-9-18(14)13-7-5-12(16)6-8-13/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyUCMAZWXTEGFIAA-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.68
Rot. Bonds4

About 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide

2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide (PubChem CID 53147943) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide
PubChem CID53147943
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC Name2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cc1cccn1-c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O/c1-11(2)17-15(19)10-14-4-3-9-18(14)13-7-5-12(16)6-8-13/h3-9,11H,10H2,1-2H3,(H,17,19)
InChIKeyUCMAZWXTEGFIAA-UHFFFAOYSA-N
XLogP2.68
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 24978957
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CID 2768250
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CID 4787986
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CID 3787371
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CID 24901612
CID 24901612
CID 3089729
CID 3089729
CID 3242509
CID 3242509
CID 3244671
CID 3244671
CID 3245406
CID 3245406
CID 3303229
CID 3303229
CID 3489652
CID 3489652
CID 9550240
CID 9550240

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide (CID 53147943) is 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cc1cccn1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide?
The InChIKey is UCMAZWXTEGFIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-11(2)17-15(19)10-14-4-3-9-18(14)13-7-5-12(16)6-8-13/h3-9,11H,10H2,1-2H3,(H,17,19).
What are the key properties of 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide?
2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide has a molecular weight of 260.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrrol-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 53147943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).