N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H15F3N2O2 — CID 78914710

IUPACN-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1cccc(CNC(=O)CNCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-19-10-4-2-3-9(5-10)6-17-11(18)7-16-8-12(13,14)15/h2-5,16H,6-8H2,1H3,(H,17,18)
InChIKeyYHDPKEPMYLSCNL-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.46
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78914710) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78914710
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1cccc(CNC(=O)CNCC(F)(F)F)c1
InChIInChI=1S/C12H15F3N2O2/c1-19-10-4-2-3-9(5-10)6-17-11(18)7-16-8-12(13,14)15/h2-5,16H,6-8H2,1H3,(H,17,18)
InChIKeyYHDPKEPMYLSCNL-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-N-[(3-methoxyphenyl)methyl]propanamide
CID 51076753
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide
CID 143097704
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997173
2-(3-methoxyanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60646925
2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525110
(2R)-2,4-dihydroxy-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 25171374
2-(cyclopropylmethylamino)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 119712587
N-[(3-hydroxyphenyl)methyl]-2-(3-methoxyphenyl)acetamide
CID 47292082

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78914710) is N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is COc1cccc(CNC(=O)CNCC(F)(F)F)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is YHDPKEPMYLSCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-19-10-4-2-3-9(5-10)6-17-11(18)7-16-8-12(13,14)15/h2-5,16H,6-8H2,1H3,(H,17,18).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78914710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).