2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

C17H13Cl2N3O2S — CID 167980519

IUPAC2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C17H13Cl2N3O2S/c1-10-21-22-17(25-10)20-16(23)13-4-2-3-5-15(13)24-9-11-6-7-12(18)8-14(11)19/h2-8H,9H2,1H3,(H,20,22,23)
InChIKeyISGSNTILYNIVPY-UHFFFAOYSA-N
MW394.28 g/mol
LogP4.98
Rot. Bonds5

About 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide

2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 167980519) has the molecular formula C17H13Cl2N3O2S and a molecular weight of 394.28 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID167980519
Molecular FormulaC17H13Cl2N3O2S
Molecular Weight394.28 g/mol
Exact Mass393.01
IUPAC Name2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C17H13Cl2N3O2S/c1-10-21-22-17(25-10)20-16(23)13-4-2-3-5-15(13)24-9-11-6-7-12(18)8-14(11)19/h2-8H,9H2,1H3,(H,20,22,23)
InChIKeyISGSNTILYNIVPY-UHFFFAOYSA-N
XLogP4.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
CID 55979286
2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2461029
2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 47738998
N-[5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
CID 1078967
2-[(2,4-dichlorophenyl)methoxy]-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 124669662
2-[(2,4-dichlorophenyl)methoxy]-N-(4-sulfamoylphenyl)benzamide
CID 2123312
2-[(2,4-dichlorophenyl)methoxy]-N-(3-hydroxypropyl)benzamide
CID 78795831
5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide
CID 51052837
4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8814346
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 2421234
2-cyclopropyloxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 167938873
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3891053

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 167980519) is 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is ISGSNTILYNIVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2S/c1-10-21-22-17(25-10)20-16(23)13-4-2-3-5-15(13)24-9-11-6-7-12(18)8-14(11)19/h2-8H,9H2,1H3,(H,20,22,23).
What are the key properties of 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 394.28 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 167980519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).