4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C23H16ClFN4O3S — CID 42643070

IUPAC4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C23H16ClFN4O3S/c24-15-6-4-14(5-7-15)22(32)28-23-26-16(13-33-23)11-20(30)27-19-9-8-17(12-18(19)25)29-10-2-1-3-21(29)31/h1-10,12-13H,11H2,(H,27,30)(H,26,28,32)
InChIKeyXDWOSSGQLPEBJH-UHFFFAOYSA-N
MW482.92 g/mol
LogP4.52
Rot. Bonds6

About 4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 42643070) has the molecular formula C23H16ClFN4O3S and a molecular weight of 482.92 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID42643070
Molecular FormulaC23H16ClFN4O3S
Molecular Weight482.92 g/mol
Exact Mass482.06
IUPAC Name4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(-n2ccccc2=O)cc1F
InChIInChI=1S/C23H16ClFN4O3S/c24-15-6-4-14(5-7-15)22(32)28-23-26-16(13-33-23)11-20(30)27-19-9-8-17(12-18(19)25)29-10-2-1-3-21(29)31/h1-10,12-13H,11H2,(H,27,30)(H,26,28,32)
InChIKeyXDWOSSGQLPEBJH-UHFFFAOYSA-N
XLogP4.52
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 42643070) is 4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(-n2ccccc2=O)cc1F.
What is the InChIKey of 4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is XDWOSSGQLPEBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN4O3S/c24-15-6-4-14(5-7-15)22(32)28-23-26-16(13-33-23)11-20(30)27-19-9-8-17(12-18(19)25)29-10-2-1-3-21(29)31/h1-10,12-13H,11H2,(H,27,30)(H,26,28,32).
What are the key properties of 4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 482.92 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-[2-fluoro-4-(2-oxo-1-pyridinyl)anilino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 42643070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).