(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide

C24H21ClFN3O4 — CID 11677142

IUPAC(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@H]1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C24H21ClFN3O4/c25-14-4-6-15(7-5-14)27-23(32)18-12-17(30)13-19(18)24(33)28-21-9-8-16(11-20(21)26)29-10-2-1-3-22(29)31/h1-11,17-19,30H,12-13H2,(H,27,32)(H,28,33)/t17-,18+,19+/m1/s1
InChIKeyKOWXJXKSYKODEN-QYZOEREBSA-N
MW469.90 g/mol
LogP3.59
Rot. Bonds5

About (1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide

(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide (PubChem CID 11677142) has the molecular formula C24H21ClFN3O4 and a molecular weight of 469.90 g/mol. Its IUPAC name is (1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Name(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide
PubChem CID11677142
Molecular FormulaC24H21ClFN3O4
Molecular Weight469.90 g/mol
Exact Mass469.12
IUPAC Name(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@H]1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C24H21ClFN3O4/c25-14-4-6-15(7-5-14)27-23(32)18-12-17(30)13-19(18)24(33)28-21-9-8-16(11-20(21)26)29-10-2-1-3-22(29)31/h1-11,17-19,30H,12-13H2,(H,27,32)(H,28,33)/t17-,18+,19+/m1/s1
InChIKeyKOWXJXKSYKODEN-QYZOEREBSA-N
XLogP3.59
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.90
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide?
The IUPAC name of (1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide (CID 11677142) is (1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide.
What is the SMILES notation for (1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide?
The canonical SMILES for (1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide is O=C(Nc1ccc(Cl)cc1)[C@H]1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of (1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide?
The InChIKey is KOWXJXKSYKODEN-QYZOEREBSA-N. The full InChI is InChI=1S/C24H21ClFN3O4/c25-14-4-6-15(7-5-14)27-23(32)18-12-17(30)13-19(18)24(33)28-21-9-8-16(11-20(21)26)29-10-2-1-3-22(29)31/h1-11,17-19,30H,12-13H2,(H,27,32)(H,28,33)/t17-,18+,19+/m1/s1.
What are the key properties of (1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide?
(1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide has a molecular weight of 469.90 g/mol, XLogP of 3.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-1-N-(4-chlorophenyl)-2-N-[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]-4-hydroxycyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 11677142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).