1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide

C24H23F3N2O4 — CID 54736774

IUPAC1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2=C(O)C(=O)N(CC3CC3)C2c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C24H23F3N2O4/c1-33-16-10-8-14(9-11-16)12-28-22(31)19-20(17-4-2-3-5-18(17)24(25,26)27)29(13-15-6-7-15)23(32)21(19)30/h2-5,8-11,15,20,30H,6-7,12-13H2,1H3,(H,28,31)
InChIKeyQEVMBQRRMSRVHN-UHFFFAOYSA-N
MW460.45 g/mol
LogP4.14
Rot. Bonds7

About 1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide

1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide (PubChem CID 54736774) has the molecular formula C24H23F3N2O4 and a molecular weight of 460.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide
PubChem CID54736774
Molecular FormulaC24H23F3N2O4
Molecular Weight460.45 g/mol
Exact Mass460.16
IUPAC Name1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2=C(O)C(=O)N(CC3CC3)C2c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C24H23F3N2O4/c1-33-16-10-8-14(9-11-16)12-28-22(31)19-20(17-4-2-3-5-18(17)24(25,26)27)29(13-15-6-7-15)23(32)21(19)30/h2-5,8-11,15,20,30H,6-7,12-13H2,1H3,(H,28,31)
InChIKeyQEVMBQRRMSRVHN-UHFFFAOYSA-N
XLogP4.14
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide (CID 54736774) is 1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide is COc1ccc(CNC(=O)C2=C(O)C(=O)N(CC3CC3)C2c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide?
The InChIKey is QEVMBQRRMSRVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N2O4/c1-33-16-10-8-14(9-11-16)12-28-22(31)19-20(17-4-2-3-5-18(17)24(25,26)27)29(13-15-6-7-15)23(32)21(19)30/h2-5,8-11,15,20,30H,6-7,12-13H2,1H3,(H,28,31).
What are the key properties of 1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide?
1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide has a molecular weight of 460.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-hydroxy-N-[(4-methoxyphenyl)methyl]-5-oxo-2-[2-(trifluoromethyl)phenyl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 54736774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).