3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide

C19H16Cl2N2O3S — CID 54529518

IUPAC3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H16Cl2N2O3S/c20-14-6-5-13(10-15(14)21)17(24)22-8-7-11-1-3-12(4-2-11)9-16-18(25)23-19(26)27-16/h1-6,10,25H,7-9H2,(H,22,24)(H,23,26)
InChIKeyYVNBLBGTXJYMSN-UHFFFAOYSA-N
MW423.32 g/mol
LogP4.01
Rot. Bonds6

About 3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide

3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide (PubChem CID 54529518) has the molecular formula C19H16Cl2N2O3S and a molecular weight of 423.32 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide
PubChem CID54529518
Molecular FormulaC19H16Cl2N2O3S
Molecular Weight423.32 g/mol
Exact Mass422.03
IUPAC Name3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide
SMILESO=C(NCCc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H16Cl2N2O3S/c20-14-6-5-13(10-15(14)21)17(24)22-8-7-11-1-3-12(4-2-11)9-16-18(25)23-19(26)27-16/h1-6,10,25H,7-9H2,(H,22,24)(H,23,26)
InChIKeyYVNBLBGTXJYMSN-UHFFFAOYSA-N
XLogP4.01
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.32
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]thiophene-3-carboxamide
CID 91303382
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CID 888038
3,4-dichloro-N-[2-(1H-indol-6-yl)ethyl]benzamide
CID 84580794
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide
CID 103738158
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CID 110395079
4-(dimethylamino)-N-[2-[3-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]phenyl]ethyl]naphthalene-1-carboxamide
CID 91596471
N-[2-(4-chlorophenyl)ethyl]-4-fluorobenzamide
CID 737426
N-[2-(3,4-dichlorophenyl)ethyl]-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzamide
CID 87236586
3,4-dichloro-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
CID 110284874
3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429508
3,4-dichloro-N-[2-[[2-(4-methylphenyl)acetyl]amino]ethyl]benzamide
CID 38993458
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]-6-(methylamino)pyridine-3-carboxamide
CID 62180449

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide (CID 54529518) is 3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide is O=C(NCCc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide?
The InChIKey is YVNBLBGTXJYMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O3S/c20-14-6-5-13(10-15(14)21)17(24)22-8-7-11-1-3-12(4-2-11)9-16-18(25)23-19(26)27-16/h1-6,10,25H,7-9H2,(H,22,24)(H,23,26).
What are the key properties of 3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide?
3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide has a molecular weight of 423.32 g/mol, XLogP of 4.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-[4-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 54529518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).