[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane

C44H46Cl2F2N4O3 — CID 160583131

IUPAC[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane
SMILESC.C.COc1ccc(Cc2ccc(CCC(N)=O)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(CN)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H20ClFN2O2.C20H18ClFN2O.2CH4/c1-28-19-9-6-16(22(24)21(19)15-3-2-4-17(23)12-15)11-14-5-7-18(26-13-14)8-10-20(25)27;1-25-18-8-6-15(9-13-5-7-17(11-23)24-12-13)20(22)19(18)14-3-2-4-16(21)10-14;;/h2-7,9,12-13H,8,10-11H2,1H3,(H2,25,27);2-8,10,12H,9,11,23H2,1H3;2*1H4
InChIKeyRCAUIOHNXBEGMC-UHFFFAOYSA-N
MW787.78 g/mol
LogP10.43
Rot. Bonds12

About [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane

[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane (PubChem CID 160583131) has the molecular formula C44H46Cl2F2N4O3 and a molecular weight of 787.78 g/mol. Its IUPAC name is [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane.

Molecular Properties

Compound Name[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane
PubChem CID160583131
Molecular FormulaC44H46Cl2F2N4O3
Molecular Weight787.78 g/mol
Exact Mass786.29
IUPAC Name[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane
SMILESC.C.COc1ccc(Cc2ccc(CCC(N)=O)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(CN)nc2)c(F)c1-c1cccc(Cl)c1
InChIInChI=1S/C22H20ClFN2O2.C20H18ClFN2O.2CH4/c1-28-19-9-6-16(22(24)21(19)15-3-2-4-17(23)12-15)11-14-5-7-18(26-13-14)8-10-20(25)27;1-25-18-8-6-15(9-13-5-7-17(11-23)24-12-13)20(22)19(18)14-3-2-4-16(21)10-14;;/h2-7,9,12-13H,8,10-11H2,1H3,(H2,25,27);2-8,10,12H,9,11,23H2,1H3;2*1H4
InChIKeyRCAUIOHNXBEGMC-UHFFFAOYSA-N
XLogP10.43
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500787.78
LogP ≤ 510.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane 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

5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyridin-2-amine;ethane
CID 143810459
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-amine
CID 58020028
2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]amino]ethanol
CID 70228503
1-[(2R)-1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]azetidin-2-yl]ethanone
CID 58020277
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1H-pyridin-2-one
CID 70224222
3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-1-oxidopyridin-1-ium-2-yl]-N-ethylpropanamide
CID 140592593
2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;2-[[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]-methylamino]ethanol;2-(methylamino)ethanol
CID 160582539
5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-[(3R)-1-methylpyrrolidin-3-yl]oxypyrimidine
CID 58019926
[4-[[3-(3-chlorophenyl)-4-(difluoromethoxy)-2-fluorophenyl]methyl]phenyl]urea
CID 69003911
3-amino-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]phenol;3-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-5-nitrophenol
CID 159113776
[4-[[3-(3-acetylphenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-fluorophenyl]methylurea
CID 70229104
2-chloro-5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidine;1-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]piperidine-2-carboxylic acid;piperidine-2-carboxylic acid
CID 158063012

Frequently Asked Questions

What is the IUPAC name of [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane?
The IUPAC name of [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane (CID 160583131) is [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane.
What is the SMILES notation for [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane?
The canonical SMILES for [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane is C.C.COc1ccc(Cc2ccc(CCC(N)=O)nc2)c(F)c1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(CN)nc2)c(F)c1-c1cccc(Cl)c1.
What is the InChIKey of [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane?
The InChIKey is RCAUIOHNXBEGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O2.C20H18ClFN2O.2CH4/c1-28-19-9-6-16(22(24)21(19)15-3-2-4-17(23)12-15)11-14-5-7-18(26-13-14)8-10-20(25)27;1-25-18-8-6-15(9-13-5-7-17(11-23)24-12-13)20(22)19(18)14-3-2-4-16(21)10-14;;/h2-7,9,12-13H,8,10-11H2,1H3,(H2,25,27);2-8,10,12H,9,11,23H2,1H3;2*1H4.
What are the key properties of [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane?
[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane has a molecular weight of 787.78 g/mol, XLogP of 10.43, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]methanamine;3-[5-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]-2-pyridinyl]propanamide;methane is sourced from PubChem (CID 160583131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).