2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide

C22H14Cl2N2OS — CID 23796735

IUPAC2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H14Cl2N2OS/c23-16-9-10-18(19(24)12-16)21(27)25-17-8-4-7-15(11-17)20-13-28-22(26-20)14-5-2-1-3-6-14/h1-13H,(H,25,27)
InChIKeyDHMQJYSPMODXGM-UHFFFAOYSA-N
MW425.34 g/mol
LogP7.04
Rot. Bonds4

About 2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide

2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide (PubChem CID 23796735) has the molecular formula C22H14Cl2N2OS and a molecular weight of 425.34 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
PubChem CID23796735
Molecular FormulaC22H14Cl2N2OS
Molecular Weight425.34 g/mol
Exact Mass424.02
IUPAC Name2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C22H14Cl2N2OS/c23-16-9-10-18(19(24)12-16)21(27)25-17-8-4-7-15(11-17)20-13-28-22(26-20)14-5-2-1-3-6-14/h1-13H,(H,25,27)
InChIKeyDHMQJYSPMODXGM-UHFFFAOYSA-N
XLogP7.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.34
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108748313
2,4-dichloro-N-[3-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 42764139
2-chloro-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]benzamide
CID 108770274
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274
1-(2-chlorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 121086468
N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]naphthalene-1-carboxamide
CID 108770678
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135
2,3,4-trifluoro-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748572
2,4-dichloro-N-[2-oxo-2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]ethyl]benzamide
CID 108762330
2-chloro-4-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 118577090
2-bromo-5-methoxy-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 122286197
3-(4-chlorophenyl)-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108748675

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide (CID 23796735) is 2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide is O=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
The InChIKey is DHMQJYSPMODXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N2OS/c23-16-9-10-18(19(24)12-16)21(27)25-17-8-4-7-15(11-17)20-13-28-22(26-20)14-5-2-1-3-6-14/h1-13H,(H,25,27).
What are the key properties of 2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide?
2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide has a molecular weight of 425.34 g/mol, XLogP of 7.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzamide is sourced from PubChem (CID 23796735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).