2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide

C19H15Cl2N3O3S — CID 135466829

IUPAC2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
SMILESCc1cc(Cl)ccc1NC(=O)CC1S/C(=N\C(=O)c2ccccc2Cl)NC1=O
InChIInChI=1S/C19H15Cl2N3O3S/c1-10-8-11(20)6-7-14(10)22-16(25)9-15-18(27)24-19(28-15)23-17(26)12-4-2-3-5-13(12)21/h2-8,15H,9H2,1H3,(H,22,25)(H,23,24,26,27)
InChIKeyPMYLZPSZWBJYKF-UHFFFAOYSA-N
MW436.32 g/mol
LogP4.06
Rot. Bonds4

About 2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide

2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide (PubChem CID 135466829) has the molecular formula C19H15Cl2N3O3S and a molecular weight of 436.32 g/mol. Its IUPAC name is 2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
PubChem CID135466829
Molecular FormulaC19H15Cl2N3O3S
Molecular Weight436.32 g/mol
Exact Mass435.02
IUPAC Name2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
SMILESCc1cc(Cl)ccc1NC(=O)CC1S/C(=N\C(=O)c2ccccc2Cl)NC1=O
InChIInChI=1S/C19H15Cl2N3O3S/c1-10-8-11(20)6-7-14(10)22-16(25)9-15-18(27)24-19(28-15)23-17(26)12-4-2-3-5-13(12)21/h2-8,15H,9H2,1H3,(H,22,25)(H,23,24,26,27)
InChIKeyPMYLZPSZWBJYKF-UHFFFAOYSA-N
XLogP4.06
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.32
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
The IUPAC name of 2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide (CID 135466829) is 2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide.
What is the SMILES notation for 2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
The canonical SMILES for 2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide is Cc1cc(Cl)ccc1NC(=O)CC1S/C(=N\C(=O)c2ccccc2Cl)NC1=O.
What is the InChIKey of 2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
The InChIKey is PMYLZPSZWBJYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O3S/c1-10-8-11(20)6-7-14(10)22-16(25)9-15-18(27)24-19(28-15)23-17(26)12-4-2-3-5-13(12)21/h2-8,15H,9H2,1H3,(H,22,25)(H,23,24,26,27).
What are the key properties of 2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide has a molecular weight of 436.32 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide is sourced from PubChem (CID 135466829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).