deuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid

C79H89F4N3O11 — CID 163735109

IUPACdeuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid
SMILESCOc1cc(C)c(C(=O)NCCc2ccc(OC)c(OCc3ccccc3)c2F)cc1C.COc1cc(C)c(C2NCCc3c2cc(OC)c(OCc2ccccc2)c3F)cc1C.COc1ccc(CCN)c(F)c1OCc1ccccc1.Cc1cc(C)c(C(=O)O)cc1C.[2H]CF
InChIInChI=1S/C26H28FNO4.C26H28FNO3.C16H18FNO2.C10H12O2.CH3F/c1-17-15-23(31-4)18(2)14-21(17)26(29)28-13-12-20-10-11-22(30-3)25(24(20)27)32-16-19-8-6-5-7-9-19;1-16-13-22(29-3)17(2)12-20(16)25-21-14-23(30-4)26(24(27)19(21)10-11-28-25)31-15-18-8-6-5-7-9-18;1-19-14-8-7-13(9-10-18)15(17)16(14)20-11-12-5-3-2-4-6-12;1-6-4-8(3)9(10(11)12)5-7(6)2;1-2/h5-11,14-15H,12-13,16H2,1-4H3,(H,28,29);5-9,12-14,25,28H,10-11,15H2,1-4H3;2-8H,9-11,18H2,1H3;4-5H,1-3H3,(H,11,12);1H3/i;;;;1D
InChIKeyLCXLXVGUSANSGY-KBJZJHATSA-N
MW1333.59 g/mol
LogP16.10
Rot. Bonds22

About deuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid

deuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid (PubChem CID 163735109) has the molecular formula C79H89F4N3O11 and a molecular weight of 1333.59 g/mol. Its IUPAC name is deuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid.

Molecular Properties

Compound Namedeuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid
PubChem CID163735109
Molecular FormulaC79H89F4N3O11
Molecular Weight1333.59 g/mol
Exact Mass1332.65
IUPAC Namedeuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid
SMILESCOc1cc(C)c(C(=O)NCCc2ccc(OC)c(OCc3ccccc3)c2F)cc1C.COc1cc(C)c(C2NCCc3c2cc(OC)c(OCc2ccccc2)c3F)cc1C.COc1ccc(CCN)c(F)c1OCc1ccccc1.Cc1cc(C)c(C(=O)O)cc1C.[2H]CF
InChIInChI=1S/C26H28FNO4.C26H28FNO3.C16H18FNO2.C10H12O2.CH3F/c1-17-15-23(31-4)18(2)14-21(17)26(29)28-13-12-20-10-11-22(30-3)25(24(20)27)32-16-19-8-6-5-7-9-19;1-16-13-22(29-3)17(2)12-20(16)25-21-14-23(30-4)26(24(27)19(21)10-11-28-25)31-15-18-8-6-5-7-9-18;1-19-14-8-7-13(9-10-18)15(17)16(14)20-11-12-5-3-2-4-6-12;1-6-4-8(3)9(10(11)12)5-7(6)2;1-2/h5-11,14-15H,12-13,16H2,1-4H3,(H,28,29);5-9,12-14,25,28H,10-11,15H2,1-4H3;2-8H,9-11,18H2,1H3;4-5H,1-3H3,(H,11,12);1H3/i;;;;1D
InChIKeyLCXLXVGUSANSGY-KBJZJHATSA-N
XLogP16.10
TPSA178.29 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001333.59
LogP ≤ 516.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze deuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid with MolForge

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Related Compounds

N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide
CID 163735110
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
5-fluoro-6-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 160708607
8-fluoro-10-methoxy-9-phenylmethoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 177340064
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide
CID 110789797
N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 55665778
N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 86906316
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 11122675
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(phenoxymethyl)benzamide
CID 26733446
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid?
The IUPAC name of deuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid (CID 163735109) is deuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid.
What is the SMILES notation for deuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid?
The canonical SMILES for deuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid is COc1cc(C)c(C(=O)NCCc2ccc(OC)c(OCc3ccccc3)c2F)cc1C.COc1cc(C)c(C2NCCc3c2cc(OC)c(OCc2ccccc2)c3F)cc1C.COc1ccc(CCN)c(F)c1OCc1ccccc1.Cc1cc(C)c(C(=O)O)cc1C.[2H]CF.
What is the InChIKey of deuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid?
The InChIKey is LCXLXVGUSANSGY-KBJZJHATSA-N. The full InChI is InChI=1S/C26H28FNO4.C26H28FNO3.C16H18FNO2.C10H12O2.CH3F/c1-17-15-23(31-4)18(2)14-21(17)26(29)28-13-12-20-10-11-22(30-3)25(24(20)27)32-16-19-8-6-5-7-9-19;1-16-13-22(29-3)17(2)12-20(16)25-21-14-23(30-4)26(24(27)19(21)10-11-28-25)31-15-18-8-6-5-7-9-18;1-19-14-8-7-13(9-10-18)15(17)16(14)20-11-12-5-3-2-4-6-12;1-6-4-8(3)9(10(11)12)5-7(6)2;1-2/h5-11,14-15H,12-13,16H2,1-4H3,(H,28,29);5-9,12-14,25,28H,10-11,15H2,1-4H3;2-8H,9-11,18H2,1H3;4-5H,1-3H3,(H,11,12);1H3/i;;;;1D.
What are the key properties of deuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid?
deuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid has a molecular weight of 1333.59 g/mol, XLogP of 16.10, 22 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(fluoro)methane;5-fluoro-7-methoxy-1-(4-methoxy-2,5-dimethylphenyl)-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline;2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethanamine;N-[2-(2-fluoro-4-methoxy-3-phenylmethoxyphenyl)ethyl]-4-methoxy-2,5-dimethylbenzamide;2,4,5-trimethylbenzoic acid is sourced from PubChem (CID 163735109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).