2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

C19H16FN3O3S — CID 31304870

IUPAC2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1ccs/c1=N/C(=O)c1ccccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C19H16FN3O3S/c1-23-10-11-27-19(23)22-18(25)13-6-2-5-9-16(13)26-12-17(24)21-15-8-4-3-7-14(15)20/h2-11H,12H2,1H3,(H,21,24)/b22-19+
InChIKeyYQNCFHZUFCVDOK-ZBJSNUHESA-N
MW385.42 g/mol
LogP2.98
Rot. Bonds5

About 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 31304870) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID31304870
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1ccs/c1=N/C(=O)c1ccccc1OCC(=O)Nc1ccccc1F
InChIInChI=1S/C19H16FN3O3S/c1-23-10-11-27-19(23)22-18(25)13-6-2-5-9-16(13)26-12-17(24)21-15-8-4-3-7-14(15)20/h2-11H,12H2,1H3,(H,21,24)/b22-19+
InChIKeyYQNCFHZUFCVDOK-ZBJSNUHESA-N
XLogP2.98
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(1-methylpyrazol-3-yl)benzamide
CID 51237893
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 26362871
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 33261900
N-(cyclopropylmethyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 34822016
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
butyl 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 33395881
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(2-fluoro-4-methylphenyl)benzamide
CID 26523025
N-[1-(4-chlorophenyl)ethyl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 112761405
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 43023216
N-(2-fluorophenyl)-2-[2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenoxy]acetamide
CID 37281510
2-(2,3-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 720662
N-(4-bromophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26913940

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide (CID 31304870) is 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is Cn1ccs/c1=N/C(=O)c1ccccc1OCC(=O)Nc1ccccc1F.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is YQNCFHZUFCVDOK-ZBJSNUHESA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-23-10-11-27-19(23)22-18(25)13-6-2-5-9-16(13)26-12-17(24)21-15-8-4-3-7-14(15)20/h2-11H,12H2,1H3,(H,21,24)/b22-19+.
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide?
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 385.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 31304870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).