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

C17H14ClN3O2S — CID 8814346

IUPAC4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)s1
InChIInChI=1S/C17H14ClN3O2S/c1-11-20-21-17(24-11)19-16(22)12-6-8-14(9-7-12)23-10-13-4-2-3-5-15(13)18/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyFEZKVJVIWPNUEZ-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.33
Rot. Bonds5

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

4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 8814346) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
PubChem CID8814346
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
SMILESCc1nnc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)s1
InChIInChI=1S/C17H14ClN3O2S/c1-11-20-21-17(24-11)19-16(22)12-6-8-14(9-7-12)23-10-13-4-2-3-5-15(13)18/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyFEZKVJVIWPNUEZ-UHFFFAOYSA-N
XLogP4.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chlorophenyl)methoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 8814256
4-[(2-chlorophenyl)methoxy]-N-phenylbenzamide
CID 8813243
4-[(2-chlorophenyl)methoxy]-N-(3,5-dimethylphenyl)benzamide
CID 8813300
4-[(2-chlorophenyl)methoxy]-N-(3-methylphenyl)benzamide
CID 8813273
3-[(2-chlorophenyl)methoxy]-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100735661
5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide
CID 51052837
N-(4-chloro-2-methylphenyl)-4-[(2-chlorophenyl)methoxy]benzamide
CID 8813256
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 31264698
3-[(2-chlorophenyl)methoxy]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100603324
4-[(2-chlorophenyl)methoxy]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 6462000
4-[(2-chlorophenyl)methoxy]-N-(4-phenoxyphenyl)benzamide
CID 19916426
4-chloro-N-[5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 3349021

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide (CID 8814346) is 4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is Cc1nnc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)s1.
What is the InChIKey of 4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is FEZKVJVIWPNUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-11-20-21-17(24-11)19-16(22)12-6-8-14(9-7-12)23-10-13-4-2-3-5-15(13)18/h2-9H,10H2,1H3,(H,19,21,22).
What are the key properties of 4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide?
4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 359.84 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 8814346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).