2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide

C18H19Cl2N3OS — CID 146668427

IUPAC2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
SMILESCN(C)c1cc(Cl)cc(NC(=O)c2cc(N3CCCS3)ccc2Cl)c1
InChIInChI=1S/C18H19Cl2N3OS/c1-22(2)15-9-12(19)8-13(10-15)21-18(24)16-11-14(4-5-17(16)20)23-6-3-7-25-23/h4-5,8-11H,3,6-7H2,1-2H3,(H,21,24)
InChIKeyLXXGXLJXWQZGOA-UHFFFAOYSA-N
MW396.34 g/mol
LogP5.17
Rot. Bonds4

About 2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide

2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide (PubChem CID 146668427) has the molecular formula C18H19Cl2N3OS and a molecular weight of 396.34 g/mol. Its IUPAC name is 2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
PubChem CID146668427
Molecular FormulaC18H19Cl2N3OS
Molecular Weight396.34 g/mol
Exact Mass395.06
IUPAC Name2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
SMILESCN(C)c1cc(Cl)cc(NC(=O)c2cc(N3CCCS3)ccc2Cl)c1
InChIInChI=1S/C18H19Cl2N3OS/c1-22(2)15-9-12(19)8-13(10-15)21-18(24)16-11-14(4-5-17(16)20)23-6-3-7-25-23/h4-5,8-11H,3,6-7H2,1-2H3,(H,21,24)
InChIKeyLXXGXLJXWQZGOA-UHFFFAOYSA-N
XLogP5.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.34
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-chloro-5-[2-methoxyethyl(methyl)amino]phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
CID 146667537
2,3-dichloro-N-(3-chloro-5-piperidin-1-ylphenyl)-5-(1,2-thiazolidin-2-yl)benzamide
CID 146668522
2,3-dichloro-N-[3-chloro-5-(1-fluoroethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
CID 146668673
2,4-dichloro-N-(3-chlorophenyl)-5-(1,2-thiazolidin-2-yl)benzamide
CID 146667435
methyl 2,3-dichloro-5-(1,2-thiazolidin-2-yl)benzoate
CID 146667440
2,3-dichloro-N-[3-propyl-5-(trifluoromethyl)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide
CID 146668495
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-(trifluoromethyl)phenyl]-5-(1,1-dihydroxy-1,2-thiazolidin-2-yl)benzamide
CID 146628612
N-(4-chloro-3-quinazolin-2-ylphenyl)-2-methyl-4-(thiazinan-2-yl)benzamide
CID 144621279
2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide
CID 107033296
buta-1,3-dien-2-amine;(E)-2-chlorobut-2-ene;2-chloro-N-(4-chloro-3-quinolin-2-ylphenyl)-4-(thiazepan-2-yl)benzamide
CID 144621867
2-chloro-N-(3-isoquinolin-1-yl-4-methylphenyl)-4-(thiazinan-2-yl)benzamide
CID 144621680

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of 2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide (CID 146668427) is 2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for 2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for 2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide is CN(C)c1cc(Cl)cc(NC(=O)c2cc(N3CCCS3)ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?
The InChIKey is LXXGXLJXWQZGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3OS/c1-22(2)15-9-12(19)8-13(10-15)21-18(24)16-11-14(4-5-17(16)20)23-6-3-7-25-23/h4-5,8-11H,3,6-7H2,1-2H3,(H,21,24).
What are the key properties of 2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide?
2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide has a molecular weight of 396.34 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-chloro-5-(dimethylamino)phenyl]-5-(1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 146668427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).