2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

C20H18F2N2O2S — CID 78886785

IUPAC2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CN(C(=O)C(C)Oc2cccc(F)c2)c2ccc(F)cc2)cs1
InChIInChI=1S/C20H18F2N2O2S/c1-13(26-19-5-3-4-16(22)10-19)20(25)24(11-17-12-27-14(2)23-17)18-8-6-15(21)7-9-18/h3-10,12-13H,11H2,1-2H3
InChIKeySPNYNJPNHYDBMD-UHFFFAOYSA-N
MW388.44 g/mol
LogP4.73
Rot. Bonds6

About 2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 78886785) has the molecular formula C20H18F2N2O2S and a molecular weight of 388.44 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID78886785
Molecular FormulaC20H18F2N2O2S
Molecular Weight388.44 g/mol
Exact Mass388.11
IUPAC Name2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CN(C(=O)C(C)Oc2cccc(F)c2)c2ccc(F)cc2)cs1
InChIInChI=1S/C20H18F2N2O2S/c1-13(26-19-5-3-4-16(22)10-19)20(25)24(11-17-12-27-14(2)23-17)18-8-6-15(21)7-9-18/h3-10,12-13H,11H2,1-2H3
InChIKeySPNYNJPNHYDBMD-UHFFFAOYSA-N
XLogP4.73
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluorophenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 86992303
N-(4-fluorophenyl)-2-methylsulfanyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 112828591
2-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 78886776
N-cyclopropyl-2-(3-fluorophenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718310
2-(3-fluorophenoxy)-N-phenyl-N-prop-2-enylpropanamide
CID 78852544
4,5-dichloro-N-(4-fluorophenyl)-1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrole-2-carboxamide
CID 55785386
5-chloro-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55785030
N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 55732875
2-(3-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718186
2-chloro-N-(4-fluorophenyl)-5-methylsulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55732627
2-(2,2-dioxo-2λ6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 55732720
N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(phenylcarbamoylamino)propanamide
CID 55732936

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (CID 78886785) is 2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is Cc1nc(CN(C(=O)C(C)Oc2cccc(F)c2)c2ccc(F)cc2)cs1.
What is the InChIKey of 2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is SPNYNJPNHYDBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2S/c1-13(26-19-5-3-4-16(22)10-19)20(25)24(11-17-12-27-14(2)23-17)18-8-6-15(21)7-9-18/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 388.44 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-N-(4-fluorophenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 78886785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).