3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide

C52H40F5N11O7S — CID 123261090

IUPAC3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)Oc1ccnc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1nccs1
InChIInChI=1S/C19H14F3N3O2.C19H17FN4O3.C14H9FN4O2S/c1-19(21,22)13-4-2-3-12(5-13)18(26)25-15-6-14(20)7-16(8-15)27-17-9-23-11-24-10-17;1-12(2)26-15-3-4-23-18(8-15)19(25)24-14-5-13(20)6-16(7-14)27-17-9-21-11-22-10-17;15-9-3-10(19-13(20)14-18-1-2-22-14)5-11(4-9)21-12-6-16-8-17-7-12/h2-11H,1H3,(H,25,26);3-12H,1-2H3,(H,24,25);1-8H,(H,19,20)
InChIKeyVEUAMAMGFMKUJZ-UHFFFAOYSA-N
MW1058.02 g/mol
LogP11.73
Rot. Bonds15

About 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide

3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide (PubChem CID 123261090) has the molecular formula C52H40F5N11O7S and a molecular weight of 1058.02 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide
PubChem CID123261090
Molecular FormulaC52H40F5N11O7S
Molecular Weight1058.02 g/mol
Exact Mass1057.28
IUPAC Name3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide
SMILESCC(C)Oc1ccnc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1nccs1
InChIInChI=1S/C19H14F3N3O2.C19H17FN4O3.C14H9FN4O2S/c1-19(21,22)13-4-2-3-12(5-13)18(26)25-15-6-14(20)7-16(8-15)27-17-9-23-11-24-10-17;1-12(2)26-15-3-4-23-18(8-15)19(25)24-14-5-13(20)6-16(7-14)27-17-9-21-11-22-10-17;15-9-3-10(19-13(20)14-18-1-2-22-14)5-11(4-9)21-12-6-16-8-17-7-12/h2-11H,1H3,(H,25,26);3-12H,1-2H3,(H,24,25);1-8H,(H,19,20)
InChIKeyVEUAMAMGFMKUJZ-UHFFFAOYSA-N
XLogP11.73
TPSA227.34 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001058.02
LogP ≤ 511.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide with MolForge

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Related Compounds

1-(2,6-Difluorophenyl)-2-[3-[5-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-2-piperidin-1-yl-1,3-thiazol-4-yl]phenyl]ethanone
CID 58236670
1-(2,6-Difluorophenyl)-2-[3-[5-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]ethanone
CID 58236697
N-[3-(5-{2-[(3-{[2-(Diethylamino)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}-1,3-thiazol-4-yl)phenyl]-2,5-difluorobenzamide
CID 58236704
2-[3-[2-Amino-5-[2-[3-[2-(diethylamino)ethoxy]anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-1-(2,6-difluorophenyl)ethanone
CID 58236735
N-[3-[5-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-2,5-difluorobenzamide
CID 58236741
2-[3-[5-[2-[3-[2-(Diethylamino)ethoxy]anilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]phenyl]-1-(2,6-difluorophenyl)ethanone
CID 58236779
3-(2-Amino-5-{2-[(3-{[2-(dimethylamino)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}-1,3-thiazol-4-yl)-N-(2,6-difluorophenyl)benzamide
CID 58236793
1-(2,6-Difluorophenyl)-2-[3-[5-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-2-methyl-1,3-thiazol-4-yl]phenyl]ethanone
CID 58236825
N-[3-[5-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-2-(4-morpholin-4-ylbutyl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide
CID 58236872
2,6-difluoro-N-[3-[5-[2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 67005355
2,6-difluoro-N-[3-[5-[2-[3-[3-(4-methylpiperazin-1-yl)propoxy]anilino]pyrimidin-4-yl]imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide
CID 67005853
N-[3-(5-{2-[(3-{[2-(Dimethylamino)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}-2-methyl-1,3-thiazol-4-yl)phenyl]-2,6-difluorobenzamide
CID 67104483

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide?
The IUPAC name of 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide (CID 123261090) is 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide is CC(C)Oc1ccnc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)c1.O=C(Nc1cc(F)cc(Oc2cncnc2)c1)c1nccs1.
What is the InChIKey of 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide?
The InChIKey is VEUAMAMGFMKUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2.C19H17FN4O3.C14H9FN4O2S/c1-19(21,22)13-4-2-3-12(5-13)18(26)25-15-6-14(20)7-16(8-15)27-17-9-23-11-24-10-17;1-12(2)26-15-3-4-23-18(8-15)19(25)24-14-5-13(20)6-16(7-14)27-17-9-21-11-22-10-17;15-9-3-10(19-13(20)14-18-1-2-22-14)5-11(4-9)21-12-6-16-8-17-7-12/h2-11H,1H3,(H,25,26);3-12H,1-2H3,(H,24,25);1-8H,(H,19,20).
What are the key properties of 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide?
3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide has a molecular weight of 1058.02 g/mol, XLogP of 11.73, 15 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-propan-2-yloxypyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 123261090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).