2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C20H16Cl2N4O4S — CID 146668619

IUPAC2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cc(Cl)cc(Oc2ncccn2)c1)c1cc(N2CCCS2(=O)=O)ccc1Cl
InChIInChI=1S/C20H16Cl2N4O4S/c21-13-9-14(11-16(10-13)30-20-23-5-1-6-24-20)25-19(27)17-12-15(3-4-18(17)22)26-7-2-8-31(26,28)29/h1,3-6,9-12H,2,7-8H2,(H,25,27)
InChIKeyREAKVRPIFILTEP-UHFFFAOYSA-N
MW479.35 g/mol
LogP4.37
Rot. Bonds5

About 2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 146668619) has the molecular formula C20H16Cl2N4O4S and a molecular weight of 479.35 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID146668619
Molecular FormulaC20H16Cl2N4O4S
Molecular Weight479.35 g/mol
Exact Mass478.03
IUPAC Name2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cc(Cl)cc(Oc2ncccn2)c1)c1cc(N2CCCS2(=O)=O)ccc1Cl
InChIInChI=1S/C20H16Cl2N4O4S/c21-13-9-14(11-16(10-13)30-20-23-5-1-6-24-20)25-19(27)17-12-15(3-4-18(17)22)26-7-2-8-31(26,28)29/h1,3-6,9-12H,2,7-8H2,(H,25,27)
InChIKeyREAKVRPIFILTEP-UHFFFAOYSA-N
XLogP4.37
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(3-chloro-5-ethoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668604
2-chloro-N-[3-chloro-5-(1-methylpyrazol-4-yl)oxyphenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667613
2-chloro-N-[3-chloro-5-(oxetan-3-yloxy)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667471
2-chloro-N-[3-chloro-5-(1H-pyrazol-4-ylamino)phenyl]-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146667685
tert-butyl 4-[3-chloro-5-[[2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenoxy]piperidine-1-carboxylate
CID 146668841
2,5-dichloro-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 7482807
2-bromo-N-(3-chloro-5-methylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146668889
2-chloro-N-(3-chloro-5-methoxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbenzamide
CID 146668607
2-chloro-5-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3-ethylphenyl)benzamide
CID 146628413
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
2-chloro-N-(3-cyano-5-methylphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 146628355
2-chloro-N-(3-chlorophenyl)-4-(1,1-dioxothiazinan-2-yl)benzamide
CID 7685766

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 146668619) is 2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1cc(Cl)cc(Oc2ncccn2)c1)c1cc(N2CCCS2(=O)=O)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is REAKVRPIFILTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O4S/c21-13-9-14(11-16(10-13)30-20-23-5-1-6-24-20)25-19(27)17-12-15(3-4-18(17)22)26-7-2-8-31(26,28)29/h1,3-6,9-12H,2,7-8H2,(H,25,27).
What are the key properties of 2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 479.35 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-5-pyrimidin-2-yloxyphenyl)-5-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146668619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).