2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide

C82H96FN9O7 — CID 160516498

IUPAC2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide
SMILESC.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)cc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cn2)c1
InChIInChI=1S/C29H34FN3O2.C27H31N3O3.C25H27N3O2.CH4/c1-22-4-3-5-24(18-22)21-31-29(34)19-23-6-8-25(9-7-23)27-11-10-26(20-28(27)30)35-17-16-33-14-12-32(2)13-15-33;1-21-3-2-4-22(17-21)19-29-27(31)18-25-8-5-24(20-28-25)23-6-9-26(10-7-23)33-16-13-30-11-14-32-15-12-30;1-19-3-2-4-20(15-19)17-27-25(29)16-23-8-5-22(18-26-23)21-6-9-24(10-7-21)28-11-13-30-14-12-28;/h3-11,18,20H,12-17,19,21H2,1-2H3,(H,31,34);2-10,17,20H,11-16,18-19H2,1H3,(H,29,31);2-10,15,18H,11-14,16-17H2,1H3,(H,27,29);1H4
InChIKeyQTSMZQZAAIOHRL-UHFFFAOYSA-N
MW1338.72 g/mol
LogP12.30
Rot. Bonds24

About 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide

2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide (PubChem CID 160516498) has the molecular formula C82H96FN9O7 and a molecular weight of 1338.72 g/mol. Its IUPAC name is 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide
PubChem CID160516498
Molecular FormulaC82H96FN9O7
Molecular Weight1338.72 g/mol
Exact Mass1337.74
IUPAC Name2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide
SMILESC.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)cc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cn2)c1
InChIInChI=1S/C29H34FN3O2.C27H31N3O3.C25H27N3O2.CH4/c1-22-4-3-5-24(18-22)21-31-29(34)19-23-6-8-25(9-7-23)27-11-10-26(20-28(27)30)35-17-16-33-14-12-32(2)13-15-33;1-21-3-2-4-22(17-21)19-29-27(31)18-25-8-5-24(20-28-25)23-6-9-26(10-7-23)33-16-13-30-11-14-32-15-12-30;1-19-3-2-4-20(15-19)17-27-25(29)16-23-8-5-22(18-26-23)21-6-9-24(10-7-21)28-11-13-30-14-12-28;/h3-11,18,20H,12-17,19,21H2,1-2H3,(H,31,34);2-10,17,20H,11-16,18-19H2,1H3,(H,29,31);2-10,15,18H,11-14,16-17H2,1H3,(H,27,29);1H4
InChIKeyQTSMZQZAAIOHRL-UHFFFAOYSA-N
XLogP12.30
TPSA162.96 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001338.72
LogP ≤ 512.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide with MolForge

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Related Compounds

Tirbanibulin
CID 23635314
2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide
CID 155925939
N-benzyl-2-[5-[4-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635072
N-benzyl-2-[5-[4-[2-[4-[(1S,2S)-2-fluorocyclopropanecarbonyl]piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166635524
N-[(3-fluorophenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide
CID 11496101
4-benzoyl-N-(2-(4-(6-(2-(benzylamino)-2-oxoethyl)pyridin-3-yl)phenoxy)ethyl)-N-(pent-4-yn-1-yl)benzamide
CID 134817475
N-benzyl-2-[5-[4-(4-morpholin-4-ylbutoxy)phenyl]-2-pyridinyl]acetamide
CID 166626298
N-benzyl-2-[5-[4-[2-(4-methoxypiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166627132
N-benzyl-2-[5-[4-[2-[4-[(1R,2S)-2-fluorocyclopropanecarbonyl]piperazin-1-yl]ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166627872
N-benzyl-2-[5-[4-[2-(3-methylpiperidin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166628279
N-benzyl-2-[5-[4-[2-(4-tert-butylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166628437
N-benzyl-2-[5-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-2-pyridinyl]acetamide
CID 166629240

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide (CID 160516498) is 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide is C.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(N4CCOCC4)cc3)cn2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCN(C)CC4)cc3F)cc2)c1.Cc1cccc(CNC(=O)Cc2ccc(-c3ccc(OCCN4CCOCC4)cc3)cn2)c1.
What is the InChIKey of 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide?
The InChIKey is QTSMZQZAAIOHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN3O2.C27H31N3O3.C25H27N3O2.CH4/c1-22-4-3-5-24(18-22)21-31-29(34)19-23-6-8-25(9-7-23)27-11-10-26(20-28(27)30)35-17-16-33-14-12-32(2)13-15-33;1-21-3-2-4-22(17-21)19-29-27(31)18-25-8-5-24(20-28-25)23-6-9-26(10-7-23)33-16-13-30-11-14-32-15-12-30;1-19-3-2-4-20(15-19)17-27-25(29)16-23-8-5-22(18-26-23)21-6-9-24(10-7-21)28-11-13-30-14-12-28;/h3-11,18,20H,12-17,19,21H2,1-2H3,(H,31,34);2-10,17,20H,11-16,18-19H2,1H3,(H,29,31);2-10,15,18H,11-14,16-17H2,1H3,(H,27,29);1H4.
What are the key properties of 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide?
2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide has a molecular weight of 1338.72 g/mol, XLogP of 12.30, 24 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]phenyl]-N-[(3-methylphenyl)methyl]acetamide;methane;N-[(3-methylphenyl)methyl]-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]-2-pyridinyl]acetamide;N-[(3-methylphenyl)methyl]-2-[5-(4-morpholin-4-ylphenyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 160516498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).