N-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide

C25H24F3NO4 — CID 135051692

IUPACN-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide
SMILESCOc1ccc(C(OC)c2ccc(OC)cc2N(Cc2ccccc2)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C25H24F3NO4/c1-31-19-11-9-18(10-12-19)23(33-3)21-14-13-20(32-2)15-22(21)29(24(30)25(26,27)28)16-17-7-5-4-6-8-17/h4-15,23H,16H2,1-3H3
InChIKeyVPZBKSJCZVUDTP-UHFFFAOYSA-N
MW459.46 g/mol
LogP5.54
Rot. Bonds8

About N-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide

N-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide (PubChem CID 135051692) has the molecular formula C25H24F3NO4 and a molecular weight of 459.46 g/mol. Its IUPAC name is N-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide
PubChem CID135051692
Molecular FormulaC25H24F3NO4
Molecular Weight459.46 g/mol
Exact Mass459.17
IUPAC NameN-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide
SMILESCOc1ccc(C(OC)c2ccc(OC)cc2N(Cc2ccccc2)C(=O)C(F)(F)F)cc1
InChIInChI=1S/C25H24F3NO4/c1-31-19-11-9-18(10-12-19)23(33-3)21-14-13-20(32-2)15-22(21)29(24(30)25(26,27)28)16-17-7-5-4-6-8-17/h4-15,23H,16H2,1-3H3
InChIKeyVPZBKSJCZVUDTP-UHFFFAOYSA-N
XLogP5.54
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.46
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-[methyl-[2-oxo-2-(2-phenylanilino)ethyl]amino]acetamide
CID 2529661
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CID 10384292
1,1,1-Trifluoro-3-((3-(1,1,2,2-tetrafluoroethoxy)benzyl)(3-(4-(trifluoromethoxy)benzyloxy)phenyl)amino)propan-2-ol
CID 11103994
4,7-Dimethoxy-1-methyl-2-quinolinone
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N-[[4-(4-methoxyphenyl)phenyl]methyl]-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 134537239
8-Methoxy-2,2,6-trimethylpyrano[3,2-c]quinolin-5-one
CID 14166105
(3R,4S)-1-(3-methoxyphenyl)-4-(4-methoxyphenyl)-3-(3-phenylpropyl)azetidin-2-one
CID 10525096
(3S,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 10644055
(3R,4R)-3-fluoro-4-(4-methoxyphenyl)-1-phenyl-3-(3-phenylpropyl)azetidin-2-one
CID 10739087
2-[4-(3-methoxyphenyl)-2,3-dioxo-1,2,3,4-tetrahydropyrazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 22520460
N-(4-fluorophenyl)-4-hydroxy-N,1-dimethyl-2-oxo-7-phenoxyquinoline-3-carboxamide
CID 54716831
1,2-Dihydro-4-hydroxy-7-methoxy-N,1-dimethyl-2-oxo-N-phenyl-3-quinolinecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide?
The IUPAC name of N-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide (CID 135051692) is N-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide.
What is the SMILES notation for N-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide?
The canonical SMILES for N-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide is COc1ccc(C(OC)c2ccc(OC)cc2N(Cc2ccccc2)C(=O)C(F)(F)F)cc1.
What is the InChIKey of N-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide?
The InChIKey is VPZBKSJCZVUDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3NO4/c1-31-19-11-9-18(10-12-19)23(33-3)21-14-13-20(32-2)15-22(21)29(24(30)25(26,27)28)16-17-7-5-4-6-8-17/h4-15,23H,16H2,1-3H3.
What are the key properties of N-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide?
N-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide has a molecular weight of 459.46 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,2,2-trifluoro-N-[5-methoxy-2-[methoxy-(4-methoxyphenyl)methyl]phenyl]acetamide is sourced from PubChem (CID 135051692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).