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

C17H12ClF2N3O2S — CID 47738998

IUPAC2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)F)s1)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C17H12ClF2N3O2S/c18-12-7-3-1-5-10(12)9-25-13-8-4-2-6-11(13)15(24)21-17-23-22-16(26-17)14(19)20/h1-8,14H,9H2,(H,21,23,24)
InChIKeyFAMWGJMPGAXTBE-UHFFFAOYSA-N
MW395.82 g/mol
LogP4.96
Rot. Bonds6

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

2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 47738998) has the molecular formula C17H12ClF2N3O2S and a molecular weight of 395.82 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID47738998
Molecular FormulaC17H12ClF2N3O2S
Molecular Weight395.82 g/mol
Exact Mass395.03
IUPAC Name2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)F)s1)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C17H12ClF2N3O2S/c18-12-7-3-1-5-10(12)9-25-13-8-4-2-6-11(13)15(24)21-17-23-22-16(26-17)14(19)20/h1-8,14H,9H2,(H,21,23,24)
InChIKeyFAMWGJMPGAXTBE-UHFFFAOYSA-N
XLogP4.96
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 167980519
2-[(2,4-dichlorophenyl)methoxy]-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
CID 55979286
2-[(2-chlorophenyl)methoxy]-N'-(2-fluorobenzoyl)benzohydrazide
CID 26901785
2-[(2-chlorophenyl)methoxy]-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
CID 26886312
2-benzoyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 47799641
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 82176351
2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2461029
4-[(2-chlorophenyl)methoxy]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 8814346
(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2392110
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-iodo-3-methylbenzamide
CID 47399402
5-[(2-chlorophenyl)methoxy]-1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-oxopyridine-2-carboxamide
CID 51052837
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 134705610

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 47738998) is 2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(C(F)F)s1)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is FAMWGJMPGAXTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O2S/c18-12-7-3-1-5-10(12)9-25-13-8-4-2-6-11(13)15(24)21-17-23-22-16(26-17)14(19)20/h1-8,14H,9H2,(H,21,23,24).
What are the key properties of 2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 395.82 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methoxy]-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 47738998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).