2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide

C18H17F3N2O3 — CID 108934640

IUPAC2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
SMILESCOc1cccc(CC(=O)Nc2cccc(CNC(=O)C(F)(F)F)c2)c1
InChIInChI=1S/C18H17F3N2O3/c1-26-15-7-3-4-12(9-15)10-16(24)23-14-6-2-5-13(8-14)11-22-17(25)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyMDSDUWMRDASVDV-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.05
Rot. Bonds6

About 2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide

2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide (PubChem CID 108934640) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
PubChem CID108934640
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC Name2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide
SMILESCOc1cccc(CC(=O)Nc2cccc(CNC(=O)C(F)(F)F)c2)c1
InChIInChI=1S/C18H17F3N2O3/c1-26-15-7-3-4-12(9-15)10-16(24)23-14-6-2-5-13(8-14)11-22-17(25)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyMDSDUWMRDASVDV-UHFFFAOYSA-N
XLogP3.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-N-[3-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]propanamide
CID 108934666
ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide
CID 143097704
N-[3-(bromomethyl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 114307304
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
2,2,2-trifluoro-N-[2-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]acetamide
CID 108933536
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310
[3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929211
tert-butyl N-[3-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]anilino]-3-oxopropyl]carbamate
CID 108921420
3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
N-[[3-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]propanamide
CID 108934568
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide (CID 108934640) is 2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide is COc1cccc(CC(=O)Nc2cccc(CNC(=O)C(F)(F)F)c2)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide?
The InChIKey is MDSDUWMRDASVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-26-15-7-3-4-12(9-15)10-16(24)23-14-6-2-5-13(8-14)11-22-17(25)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide?
2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide has a molecular weight of 366.34 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[3-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]methyl]acetamide is sourced from PubChem (CID 108934640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).