N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide

C24H24Cl2FN3O4 — CID 89480017

IUPACN-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(CC(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C24H24Cl2FN3O4/c1-14(2-3-15-6-9-19(25)20(26)10-15)29-23(33)18-12-30(24(34)22(18)32)13-21(31)28-11-16-4-7-17(27)8-5-16/h4-10,14,32H,2-3,11-13H2,1H3,(H,28,31)(H,29,33)
InChIKeySXHLHAHKZVNBOJ-UHFFFAOYSA-N
MW508.38 g/mol
LogP3.54
Rot. Bonds9

About N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide

N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide (PubChem CID 89480017) has the molecular formula C24H24Cl2FN3O4 and a molecular weight of 508.38 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
PubChem CID89480017
Molecular FormulaC24H24Cl2FN3O4
Molecular Weight508.38 g/mol
Exact Mass507.11
IUPAC NameN-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide
SMILESCC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(CC(=O)NCc2ccc(F)cc2)C1
InChIInChI=1S/C24H24Cl2FN3O4/c1-14(2-3-15-6-9-19(25)20(26)10-15)29-23(33)18-12-30(24(34)22(18)32)13-21(31)28-11-16-4-7-17(27)8-5-16/h4-10,14,32H,2-3,11-13H2,1H3,(H,28,31)(H,29,33)
InChIKeySXHLHAHKZVNBOJ-UHFFFAOYSA-N
XLogP3.54
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.38
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide (CID 89480017) is N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide is CC(CCc1ccc(Cl)c(Cl)c1)NC(=O)C1=C(O)C(=O)N(CC(=O)NCc2ccc(F)cc2)C1.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
The InChIKey is SXHLHAHKZVNBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2FN3O4/c1-14(2-3-15-6-9-19(25)20(26)10-15)29-23(33)18-12-30(24(34)22(18)32)13-21(31)28-11-16-4-7-17(27)8-5-16/h4-10,14,32H,2-3,11-13H2,1H3,(H,28,31)(H,29,33).
What are the key properties of N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide?
N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide has a molecular weight of 508.38 g/mol, XLogP of 3.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)butan-2-yl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-4-hydroxy-5-oxo-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 89480017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).