N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide

C123H124F5N11O11S — CID 167697694

IUPACN-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide
SMILESCCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)cc2)cc1F.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cc2)cc1F.[H]N=S(=O)(CCc1cccnc1C)c1ccc(-c2ccc(N(C)C(=O)CC)cc2)cc1
InChIInChI=1S/C25H25FN2O3.2C25H25FN2O2.C24H22F2N2O2.C24H27N3O2S/c1-4-28(2)25(30)21-12-11-20(15-22(21)26)18-7-9-19(10-8-18)23(29)13-5-17-6-14-24(31-3)27-16-17;2*1-4-28(3)25(30)22-13-12-21(15-23(22)26)19-8-10-20(11-9-19)24(29)14-7-18-6-5-17(2)27-16-18;1-3-28(2)24(30)20-11-10-19(14-21(20)25)17-6-8-18(9-7-17)22(29)12-4-16-5-13-23(26)27-15-16;1-4-24(28)27(3)22-11-7-20(8-12-22)21-9-13-23(14-10-21)30(25,29)17-15-19-6-5-16-26-18(19)2/h6-12,14-16H,4-5,13H2,1-3H3;2*5-6,8-13,15-16H,4,7,14H2,1-3H3;5-11,13-15H,3-4,12H2,1-2H3;5-14,16,25H,4,15,17H2,1-3H3
InChIKeyXXGRGEWRTFZLOK-UHFFFAOYSA-N
MW2059.47 g/mol
LogP25.02
Rot. Bonds36

About N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide

N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide (PubChem CID 167697694) has the molecular formula C123H124F5N11O11S and a molecular weight of 2059.47 g/mol. Its IUPAC name is N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide
PubChem CID167697694
Molecular FormulaC123H124F5N11O11S
Molecular Weight2059.47 g/mol
Exact Mass2057.91
IUPAC NameN-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide
SMILESCCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)cc2)cc1F.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cc2)cc1F.[H]N=S(=O)(CCc1cccnc1C)c1ccc(-c2ccc(N(C)C(=O)CC)cc2)cc1
InChIInChI=1S/C25H25FN2O3.2C25H25FN2O2.C24H22F2N2O2.C24H27N3O2S/c1-4-28(2)25(30)21-12-11-20(15-22(21)26)18-7-9-19(10-8-18)23(29)13-5-17-6-14-24(31-3)27-16-17;2*1-4-28(3)25(30)22-13-12-21(15-23(22)26)19-8-10-20(11-9-19)24(29)14-7-18-6-5-17(2)27-16-18;1-3-28(2)24(30)20-11-10-19(14-21(20)25)17-6-8-18(9-7-17)22(29)12-4-16-5-13-23(26)27-15-16;1-4-24(28)27(3)22-11-7-20(8-12-22)21-9-13-23(14-10-21)30(25,29)17-15-19-6-5-16-26-18(19)2/h6-12,14-16H,4-5,13H2,1-3H3;2*5-6,8-13,15-16H,4,7,14H2,1-3H3;5-11,13-15H,3-4,12H2,1-2H3;5-14,16,25H,4,15,17H2,1-3H3
InChIKeyXXGRGEWRTFZLOK-UHFFFAOYSA-N
XLogP25.02
TPSA284.43 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds36
Heavy Atoms151
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002059.47
LogP ≤ 525.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide?
The IUPAC name of N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide (CID 167697694) is N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide.
What is the SMILES notation for N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide?
The canonical SMILES for N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide is CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)cc2)cc1F.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3)cc2)cc1F.CCN(C)C(=O)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cc2)cc1F.[H]N=S(=O)(CCc1cccnc1C)c1ccc(-c2ccc(N(C)C(=O)CC)cc2)cc1.
What is the InChIKey of N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide?
The InChIKey is XXGRGEWRTFZLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O3.2C25H25FN2O2.C24H22F2N2O2.C24H27N3O2S/c1-4-28(2)25(30)21-12-11-20(15-22(21)26)18-7-9-19(10-8-18)23(29)13-5-17-6-14-24(31-3)27-16-17;2*1-4-28(3)25(30)22-13-12-21(15-23(22)26)19-8-10-20(11-9-19)24(29)14-7-18-6-5-17(2)27-16-18;1-3-28(2)24(30)20-11-10-19(14-21(20)25)17-6-8-18(9-7-17)22(29)12-4-16-5-13-23(26)27-15-16;1-4-24(28)27(3)22-11-7-20(8-12-22)21-9-13-23(14-10-21)30(25,29)17-15-19-6-5-16-26-18(19)2/h6-12,14-16H,4-5,13H2,1-3H3;2*5-6,8-13,15-16H,4,7,14H2,1-3H3;5-11,13-15H,3-4,12H2,1-2H3;5-14,16,25H,4,15,17H2,1-3H3.
What are the key properties of N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide?
N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide has a molecular weight of 2059.47 g/mol, XLogP of 25.02, 36 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;N-ethyl-2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]-N-methylbenzamide;bis(N-ethyl-2-fluoro-N-methyl-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]benzamide);N-methyl-N-[4-[4-[2-(2-methyl-3-pyridinyl)ethylsulfonimidoyl]phenyl]phenyl]propanamide is sourced from PubChem (CID 167697694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).