3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide

C17H12F2N2OS — CID 110445702

IUPAC3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1-c1nccs1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H12F2N2OS/c18-14-6-5-11(9-15(14)19)16(22)21-10-12-3-1-2-4-13(12)17-20-7-8-23-17/h1-9H,10H2,(H,21,22)
InChIKeyRCOBMFUGKGUODA-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.02
Rot. Bonds4

About 3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide

3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide (PubChem CID 110445702) has the molecular formula C17H12F2N2OS and a molecular weight of 330.36 g/mol. Its IUPAC name is 3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
PubChem CID110445702
Molecular FormulaC17H12F2N2OS
Molecular Weight330.36 g/mol
Exact Mass330.06
IUPAC Name3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccccc1-c1nccs1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H12F2N2OS/c18-14-6-5-11(9-15(14)19)16(22)21-10-12-3-1-2-4-13(12)17-20-7-8-23-17/h1-9H,10H2,(H,21,22)
InChIKeyRCOBMFUGKGUODA-UHFFFAOYSA-N
XLogP4.02
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 110443683
2-amino-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 110459394
1,1-dimethyl-3-[[2-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 110443866
5-amino-1-methyl-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]pyrazole-4-carboxamide
CID 110451969
3,4-difluoro-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 47334895
N-benzyl-3,4-difluorobenzamide
CID 1294460
4-amino-3-fluoro-N-(pyridin-2-ylmethyl)benzamide
CID 62678700
4-amino-N-[(2-ethylphenyl)methyl]-3-fluorobenzamide
CID 64681507
N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107997588
N-[(2-aminophenyl)methyl]-3-bromo-4-fluorobenzamide
CID 107948816
3,4-difluoro-N-[2-oxo-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]benzamide
CID 86796428
3-chloro-4-fluoro-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115732894

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide (CID 110445702) is 3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide is O=C(NCc1ccccc1-c1nccs1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide?
The InChIKey is RCOBMFUGKGUODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2OS/c18-14-6-5-11(9-15(14)19)16(22)21-10-12-3-1-2-4-13(12)17-20-7-8-23-17/h1-9H,10H2,(H,21,22).
What are the key properties of 3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide?
3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide has a molecular weight of 330.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[[2-(1,3-thiazol-2-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 110445702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).