N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide

C25H23Cl2F3N2O3 — CID 154473217

IUPACN-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
SMILESCC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(C2CCc3ccc(C(F)(F)F)cc32)C1
InChIInChI=1S/C25H23Cl2F3N2O3/c1-13(2-3-14-4-8-19(26)20(27)10-14)31-23(34)18-12-32(24(35)22(18)33)21-9-6-15-5-7-16(11-17(15)21)25(28,29)30/h4-5,7-8,10-11,13,21,33H,2-3,6,9,12H2,1H3,(H,31,34)
InChIKeyKXACGIYPQINJMN-UHFFFAOYSA-N
MW527.37 g/mol
LogP5.79
Rot. Bonds6

About N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide

N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide (PubChem CID 154473217) has the molecular formula C25H23Cl2F3N2O3 and a molecular weight of 527.37 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
PubChem CID154473217
Molecular FormulaC25H23Cl2F3N2O3
Molecular Weight527.37 g/mol
Exact Mass526.10
IUPAC NameN-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide
SMILESCC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(C2CCc3ccc(C(F)(F)F)cc32)C1
InChIInChI=1S/C25H23Cl2F3N2O3/c1-13(2-3-14-4-8-19(26)20(27)10-14)31-23(34)18-12-32(24(35)22(18)33)21-9-6-15-5-7-16(11-17(15)21)25(28,29)30/h4-5,7-8,10-11,13,21,33H,2-3,6,9,12H2,1H3,(H,31,34)
InChIKeyKXACGIYPQINJMN-UHFFFAOYSA-N
XLogP5.79
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.37
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide (CID 154473217) is N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide is CC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(C2CCc3ccc(C(F)(F)F)cc32)C1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
The InChIKey is KXACGIYPQINJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2F3N2O3/c1-13(2-3-14-4-8-19(26)20(27)10-14)31-23(34)18-12-32(24(35)22(18)33)21-9-6-15-5-7-16(11-17(15)21)25(28,29)30/h4-5,7-8,10-11,13,21,33H,2-3,6,9,12H2,1H3,(H,31,34).
What are the key properties of N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide?
N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide has a molecular weight of 527.37 g/mol, XLogP of 5.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)butan-2-yl]-4-hydroxy-5-oxo-1-[6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 154473217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).