4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide

C18H13F2N3O2S — CID 36539746

IUPAC4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)Nc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C18H13F2N3O2S/c19-13-6-4-11(5-7-13)17(25)21-9-16(24)23-18-22-15(10-26-18)12-2-1-3-14(20)8-12/h1-8,10H,9H2,(H,21,25)(H,22,23,24)
InChIKeyOSMZMJJVTAYDET-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.46
Rot. Bonds5

About 4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide

4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 36539746) has the molecular formula C18H13F2N3O2S and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID36539746
Molecular FormulaC18H13F2N3O2S
Molecular Weight373.38 g/mol
Exact Mass373.07
IUPAC Name4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1)Nc1nc(-c2cccc(F)c2)cs1
InChIInChI=1S/C18H13F2N3O2S/c19-13-6-4-11(5-7-13)17(25)21-9-16(24)23-18-22-15(10-26-18)12-2-1-3-14(20)8-12/h1-8,10H,9H2,(H,21,25)(H,22,23,24)
InChIKeyOSMZMJJVTAYDET-UHFFFAOYSA-N
XLogP3.46
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-3-fluorobenzamide
CID 112805403
3-(4-fluorophenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32623275
3-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]benzamide
CID 18267450
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methylsulfonylmethyl)benzamide
CID 36539422
N-[[4-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55760102
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-4-(methanesulfonamido)benzamide
CID 51112118
N-[2-oxo-2-[[4-(3-pyridin-4-ylphenyl)-1,3-thiazol-2-yl]amino]ethyl]-1H-indazole-5-carboxamide
CID 153333092
3,5-dimethyl-N-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 46667813
2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
N-[2-[[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037029
2-(5-acetyl-2-methoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 32622617
3-(3-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 43068966

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide (CID 36539746) is 4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1)Nc1nc(-c2cccc(F)c2)cs1.
What is the InChIKey of 4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is OSMZMJJVTAYDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3O2S/c19-13-6-4-11(5-7-13)17(25)21-9-16(24)23-18-22-15(10-26-18)12-2-1-3-14(20)8-12/h1-8,10H,9H2,(H,21,25)(H,22,23,24).
What are the key properties of 4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 373.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 36539746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).