N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide

C20H23F3N2O3 — CID 56553002

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCCCOc1ccc(CNC(=O)CNc2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C20H23F3N2O3/c1-3-9-28-17-8-7-14(10-18(17)27-2)12-25-19(26)13-24-16-6-4-5-15(11-16)20(21,22)23/h4-8,10-11,24H,3,9,12-13H2,1-2H3,(H,25,26)
InChIKeyVJOGNVPRUIBREE-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.23
Rot. Bonds9

About N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide

N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56553002) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56553002
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCCCOc1ccc(CNC(=O)CNc2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C20H23F3N2O3/c1-3-9-28-17-8-7-14(10-18(17)27-2)12-25-19(26)13-24-16-6-4-5-15(11-16)20(21,22)23/h4-8,10-11,24H,3,9,12-13H2,1-2H3,(H,25,26)
InChIKeyVJOGNVPRUIBREE-UHFFFAOYSA-N
XLogP4.23
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540336
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(trifluoromethoxy)anilino]acetamide
CID 55544425
N-benzyl-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 42070595
2-(3-acetamidoanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 109003188
2-anilino-N-[(3-methyl-4-propoxyphenyl)methyl]acetamide
CID 142694058
2-(4-tert-butylphenoxy)-N-[(3-methoxy-4-propoxyphenyl)methyl]acetamide
CID 54777035
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540495
N-[[3-(phenylmethoxymethyl)phenyl]methyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546257
2-[4-[(1-hydroxybutan-2-ylamino)methyl]-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4747376
N-(3-methoxyphenyl)-2-[2-propoxy-5-(trifluoromethyl)anilino]acetamide
CID 33164006

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 56553002) is N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide is CCCOc1ccc(CNC(=O)CNc2cccc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is VJOGNVPRUIBREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-3-9-28-17-8-7-14(10-18(17)27-2)12-25-19(26)13-24-16-6-4-5-15(11-16)20(21,22)23/h4-8,10-11,24H,3,9,12-13H2,1-2H3,(H,25,26).
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 396.41 g/mol, XLogP of 4.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56553002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).