N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide

C24H18ClFN4O3S — CID 90129826

IUPACN-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCCS2(=O)=O)c(F)c1
InChIInChI=1S/C24H18ClFN4O3S/c25-19-6-5-16(14-18(19)23-17-3-1-9-27-21(17)8-10-28-23)29-24(31)15-4-7-22(20(26)13-15)30-11-2-12-34(30,32)33/h1,3-10,13-14H,2,11-12H2,(H,29,31)
InChIKeyKYZJNRBBMWUWRL-UHFFFAOYSA-N
MW496.95 g/mol
LogP4.88
Rot. Bonds4

About N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide

N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide (PubChem CID 90129826) has the molecular formula C24H18ClFN4O3S and a molecular weight of 496.95 g/mol. Its IUPAC name is N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide
PubChem CID90129826
Molecular FormulaC24H18ClFN4O3S
Molecular Weight496.95 g/mol
Exact Mass496.08
IUPAC NameN-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide
SMILESO=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCCS2(=O)=O)c(F)c1
InChIInChI=1S/C24H18ClFN4O3S/c25-19-6-5-16(14-18(19)23-17-3-1-9-27-21(17)8-10-28-23)29-24(31)15-4-7-22(20(26)13-15)30-11-2-12-34(30,32)33/h1,3-10,13-14H,2,11-12H2,(H,29,31)
InChIKeyKYZJNRBBMWUWRL-UHFFFAOYSA-N
XLogP4.88
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.95
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide?
The IUPAC name of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide (CID 90129826) is N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide.
What is the SMILES notation for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide?
The canonical SMILES for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide is O=C(Nc1ccc(Cl)c(-c2nccc3ncccc23)c1)c1ccc(N2CCCS2(=O)=O)c(F)c1.
What is the InChIKey of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide?
The InChIKey is KYZJNRBBMWUWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O3S/c25-19-6-5-16(14-18(19)23-17-3-1-9-27-21(17)8-10-28-23)29-24(31)15-4-7-22(20(26)13-15)30-11-2-12-34(30,32)33/h1,3-10,13-14H,2,11-12H2,(H,29,31).
What are the key properties of N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide?
N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide has a molecular weight of 496.95 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1,6-naphthyridin-5-yl)phenyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 90129826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).