N-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide

C19H16Cl2N2O4S — CID 91036942

IUPACN-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N2O4S/c1-27-15-5-2-10(7-16-18(25)23-19(26)28-16)6-13(15)17(24)22-9-11-3-4-12(20)8-14(11)21/h2-6,8,25H,7,9H2,1H3,(H,22,24)(H,23,26)
InChIKeySNTXXINUXCDZKX-UHFFFAOYSA-N
MW439.32 g/mol
LogP3.98
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide

N-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide (PubChem CID 91036942) has the molecular formula C19H16Cl2N2O4S and a molecular weight of 439.32 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide
PubChem CID91036942
Molecular FormulaC19H16Cl2N2O4S
Molecular Weight439.32 g/mol
Exact Mass438.02
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H16Cl2N2O4S/c1-27-15-5-2-10(7-16-18(25)23-19(26)28-16)6-13(15)17(24)22-9-11-3-4-12(20)8-14(11)21/h2-6,8,25H,7,9H2,1H3,(H,22,24)(H,23,26)
InChIKeySNTXXINUXCDZKX-UHFFFAOYSA-N
XLogP3.98
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.32
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 4794585
N-[(2,4-dichlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9045958
1-[(2,4-dichlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 38157404
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
5-[[2-(2,4-dichlorophenoxy)phenyl]methyl]-4-hydroxy-3H-1,3-thiazol-2-one
CID 91588688
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
N-[(2,4-dichlorophenyl)methyl]-4,5-dimethoxy-2-[methyl(methylsulfonyl)amino]benzamide
CID 30148202
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide
CID 43548657
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614690

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide (CID 91036942) is N-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide is COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide?
The InChIKey is SNTXXINUXCDZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4S/c1-27-15-5-2-10(7-16-18(25)23-19(26)28-16)6-13(15)17(24)22-9-11-3-4-12(20)8-14(11)21/h2-6,8,25H,7,9H2,1H3,(H,22,24)(H,23,26).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide?
N-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide has a molecular weight of 439.32 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-5-[(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 91036942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).