5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide

C16H17F3N2O — CID 91093698

IUPAC5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide
SMILESNC(=O)CCCCc1[nH]ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2O/c17-16(18,19)12-7-5-11(6-8-12)13-9-10-21-14(13)3-1-2-4-15(20)22/h5-10,21H,1-4H2,(H2,20,22)
InChIKeyNJYIRIXTONOADB-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.90
Rot. Bonds6

About 5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide

5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide (PubChem CID 91093698) has the molecular formula C16H17F3N2O and a molecular weight of 310.32 g/mol. Its IUPAC name is 5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide.

Molecular Properties

Compound Name5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide
PubChem CID91093698
Molecular FormulaC16H17F3N2O
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide
SMILESNC(=O)CCCCc1[nH]ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3N2O/c17-16(18,19)12-7-5-11(6-8-12)13-9-10-21-14(13)3-1-2-4-15(20)22/h5-10,21H,1-4H2,(H2,20,22)
InChIKeyNJYIRIXTONOADB-UHFFFAOYSA-N
XLogP3.90
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide?
The IUPAC name of 5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide (CID 91093698) is 5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide.
What is the SMILES notation for 5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide?
The canonical SMILES for 5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide is NC(=O)CCCCc1[nH]ccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide?
The InChIKey is NJYIRIXTONOADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O/c17-16(18,19)12-7-5-11(6-8-12)13-9-10-21-14(13)3-1-2-4-15(20)22/h5-10,21H,1-4H2,(H2,20,22).
What are the key properties of 5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide?
5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide has a molecular weight of 310.32 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]pentanamide is sourced from PubChem (CID 91093698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).