4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide

C15H14ClF3N2O2 — CID 138024674

IUPAC4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NC(CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14ClF3N2O2/c1-21-7-9(16)6-13(21)14(23)20-12(8-22)10-4-2-3-5-11(10)15(17,18)19/h2-7,12,22H,8H2,1H3,(H,20,23)
InChIKeyIBSURWGNOMLUHY-UHFFFAOYSA-N
MW346.74 g/mol
LogP3.16
Rot. Bonds4

About 4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide

4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 138024674) has the molecular formula C15H14ClF3N2O2 and a molecular weight of 346.74 g/mol. Its IUPAC name is 4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID138024674
Molecular FormulaC15H14ClF3N2O2
Molecular Weight346.74 g/mol
Exact Mass346.07
IUPAC Name4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NC(CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H14ClF3N2O2/c1-21-7-9(16)6-13(21)14(23)20-12(8-22)10-4-2-3-5-11(10)15(17,18)19/h2-7,12,22H,8H2,1H3,(H,20,23)
InChIKeyIBSURWGNOMLUHY-UHFFFAOYSA-N
XLogP3.16
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.74
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide (CID 138024674) is 4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)NC(CO)c1ccccc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is IBSURWGNOMLUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O2/c1-21-7-9(16)6-13(21)14(23)20-12(8-22)10-4-2-3-5-11(10)15(17,18)19/h2-7,12,22H,8H2,1H3,(H,20,23).
What are the key properties of 4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide?
4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 346.74 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 138024674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).