3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide

C97H77F3N10O11 — CID 123219772

IUPAC3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide
SMILESC#Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cc(C(=O)Nc2cccc(Oc3cccnc3)c2)ccc1F.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1
InChIInChI=1S/C20H16F2N2O2.C20H14N2O2.C19H15FN2O2.C19H16N2O3.C19H16N2O2/c1-20(21,22)15-6-2-5-14(11-15)19(25)24-16-7-3-8-17(12-16)26-18-9-4-10-23-13-18;1-2-15-6-3-7-16(12-15)20(23)22-17-8-4-9-18(13-17)24-19-10-5-11-21-14-19;1-13-10-14(7-8-18(13)20)19(23)22-15-4-2-5-16(11-15)24-17-6-3-9-21-12-17;1-23-16-7-2-5-14(11-16)19(22)21-15-6-3-8-17(12-15)24-18-9-4-10-20-13-18;1-14-5-2-6-15(11-14)19(22)21-16-7-3-8-17(12-16)23-18-9-4-10-20-13-18/h2-13H,1H3,(H,24,25);1,3-14H,(H,22,23);2-12H,1H3,(H,22,23);2-13H,1H3,(H,21,22);2-13H,1H3,(H,21,22)
InChIKeyXWLOCXROWNWMOV-UHFFFAOYSA-N
MW1615.74 g/mol
LogP22.49
Rot. Bonds22

About 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide

3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide (PubChem CID 123219772) has the molecular formula C97H77F3N10O11 and a molecular weight of 1615.74 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide
PubChem CID123219772
Molecular FormulaC97H77F3N10O11
Molecular Weight1615.74 g/mol
Exact Mass1614.57
IUPAC Name3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide
SMILESC#Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cc(C(=O)Nc2cccc(Oc3cccnc3)c2)ccc1F.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1
InChIInChI=1S/C20H16F2N2O2.C20H14N2O2.C19H15FN2O2.C19H16N2O3.C19H16N2O2/c1-20(21,22)15-6-2-5-14(11-15)19(25)24-16-7-3-8-17(12-16)26-18-9-4-10-23-13-18;1-2-15-6-3-7-16(12-15)20(23)22-17-8-4-9-18(13-17)24-19-10-5-11-21-14-19;1-13-10-14(7-8-18(13)20)19(23)22-15-4-2-5-16(11-15)24-17-6-3-9-21-12-17;1-23-16-7-2-5-14(11-16)19(22)21-15-6-3-8-17(12-15)24-18-9-4-10-20-13-18;1-14-5-2-6-15(11-14)19(22)21-16-7-3-8-17(12-16)23-18-9-4-10-20-13-18/h2-13H,1H3,(H,24,25);1,3-14H,(H,22,23);2-12H,1H3,(H,22,23);2-13H,1H3,(H,21,22);2-13H,1H3,(H,21,22)
InChIKeyXWLOCXROWNWMOV-UHFFFAOYSA-N
XLogP22.49
TPSA265.33 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001615.74
LogP ≤ 522.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide with MolForge

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Related Compounds

4-fluoro-N-[3-pyridin-2-yl-5-(pyridin-3-yloxy)-phenyl]-benzamide
CID 10172758
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 58337430
3-ethynyl-2-fluoro-N-[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]benzamide
CID 58337432
3-ethynyl-N-[3-[[5-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]benzamide
CID 58337481
3-ethynyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]benzamide
CID 58337491
3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide
CID 58337582
N-[3-(1,1-difluoroethoxy)phenyl]-3-(isoquinolin-4-ylmethoxy)benzamide
CID 91464298
4-fluoro-N-[4-[4-[1-[4-[(4-fluorobenzoyl)amino]-4-[4-[1-[4-[(4-fluorobenzoyl)amino]-4-[4-(4-methyl-3-pyridinyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-8-yl]-2-methoxypyridin-1-ium-3-yl]phenyl]-2,3-dihydropyrano[3,2-b]pyridin-8-yl]-4-methoxypyridin-1-ium-3-yl]phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
CID 123229581
6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 123268019
3-methyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
CID 123346357
N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-4-methoxypyridine-2-carboxamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-4-oxo-1H-pyridine-2-carboxamide
CID 123545878
3-ethynyl-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;3-ethynyl-N-[3-pyrimidin-5-yloxy-5-(trifluoromethyl)phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;3-methyl-N-(3-pyrimidin-5-yloxyphenyl)benzamide
CID 123641473

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide?
The IUPAC name of 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide (CID 123219772) is 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide.
What is the SMILES notation for 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide?
The canonical SMILES for 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide is C#Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.CC(F)(F)c1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.COc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cc(C(=O)Nc2cccc(Oc3cccnc3)c2)ccc1F.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.
What is the InChIKey of 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide?
The InChIKey is XWLOCXROWNWMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O2.C20H14N2O2.C19H15FN2O2.C19H16N2O3.C19H16N2O2/c1-20(21,22)15-6-2-5-14(11-15)19(25)24-16-7-3-8-17(12-16)26-18-9-4-10-23-13-18;1-2-15-6-3-7-16(12-15)20(23)22-17-8-4-9-18(13-17)24-19-10-5-11-21-14-19;1-13-10-14(7-8-18(13)20)19(23)22-15-4-2-5-16(11-15)24-17-6-3-9-21-12-17;1-23-16-7-2-5-14(11-16)19(22)21-15-6-3-8-17(12-15)24-18-9-4-10-20-13-18;1-14-5-2-6-15(11-14)19(22)21-16-7-3-8-17(12-16)23-18-9-4-10-20-13-18/h2-13H,1H3,(H,24,25);1,3-14H,(H,22,23);2-12H,1H3,(H,22,23);2-13H,1H3,(H,21,22);2-13H,1H3,(H,21,22).
What are the key properties of 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide?
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide has a molecular weight of 1615.74 g/mol, XLogP of 22.49, 22 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide is sourced from PubChem (CID 123219772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).