N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide

C27H23F2N3O4 — CID 71550765

IUPACN-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(=O)Nc1ccc(-c2cccc([C@@H](C)NC(=O)C3=C(O)C(=O)N(c4ccc(F)cc4F)C3)c2)cc1
InChIInChI=1S/C27H23F2N3O4/c1-15(18-4-3-5-19(12-18)17-6-9-21(10-7-17)31-16(2)33)30-26(35)22-14-32(27(36)25(22)34)24-11-8-20(28)13-23(24)29/h3-13,15,34H,14H2,1-2H3,(H,30,35)(H,31,33)/t15-/m1/s1
InChIKeyQLMWXSOWFRDKTN-OAHLLOKOSA-N
MW491.49 g/mol
LogP4.63
Rot. Bonds6

About N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide

N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 71550765) has the molecular formula C27H23F2N3O4 and a molecular weight of 491.49 g/mol. Its IUPAC name is N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID71550765
Molecular FormulaC27H23F2N3O4
Molecular Weight491.49 g/mol
Exact Mass491.17
IUPAC NameN-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(=O)Nc1ccc(-c2cccc([C@@H](C)NC(=O)C3=C(O)C(=O)N(c4ccc(F)cc4F)C3)c2)cc1
InChIInChI=1S/C27H23F2N3O4/c1-15(18-4-3-5-19(12-18)17-6-9-21(10-7-17)31-16(2)33)30-26(35)22-14-32(27(36)25(22)34)24-11-8-20(28)13-23(24)29/h3-13,15,34H,14H2,1-2H3,(H,30,35)(H,31,33)/t15-/m1/s1
InChIKeyQLMWXSOWFRDKTN-OAHLLOKOSA-N
XLogP4.63
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.49
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide (CID 71550765) is N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide is CC(=O)Nc1ccc(-c2cccc([C@@H](C)NC(=O)C3=C(O)C(=O)N(c4ccc(F)cc4F)C3)c2)cc1.
What is the InChIKey of N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is QLMWXSOWFRDKTN-OAHLLOKOSA-N. The full InChI is InChI=1S/C27H23F2N3O4/c1-15(18-4-3-5-19(12-18)17-6-9-21(10-7-17)31-16(2)33)30-26(35)22-14-32(27(36)25(22)34)24-11-8-20(28)13-23(24)29/h3-13,15,34H,14H2,1-2H3,(H,30,35)(H,31,33)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 491.49 g/mol, XLogP of 4.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-(4-acetamidophenyl)phenyl]ethyl]-1-(2,4-difluorophenyl)-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 71550765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).