N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide

C19H21F3N2O2 — CID 56552526

IUPACN-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccc(CCCNC(=O)CNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H21F3N2O2/c1-26-17-9-7-14(8-10-17)4-3-11-23-18(25)13-24-16-6-2-5-15(12-16)19(20,21)22/h2,5-10,12,24H,3-4,11,13H2,1H3,(H,23,25)
InChIKeyAPVGTAMXDDLZGB-UHFFFAOYSA-N
MW366.38 g/mol
LogP3.87
Rot. Bonds8

About N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide

N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide (PubChem CID 56552526) has the molecular formula C19H21F3N2O2 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide
PubChem CID56552526
Molecular FormulaC19H21F3N2O2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC NameN-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide
SMILESCOc1ccc(CCCNC(=O)CNc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H21F3N2O2/c1-26-17-9-7-14(8-10-17)4-3-11-23-18(25)13-24-16-6-2-5-15(12-16)19(20,21)22/h2,5-10,12,24H,3-4,11,13H2,1H3,(H,23,25)
InChIKeyAPVGTAMXDDLZGB-UHFFFAOYSA-N
XLogP3.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56540495
N-[3-(4-methoxyphenyl)propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 56548668
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833709
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 970411
N-(4-methylpentyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 56546511
2-(4-methoxyphenyl)-N-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]acetamide
CID 112999418
1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one
CID 975228
2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 109001296
N-[4-(N-methylanilino)butyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56552750
N-[(4-methoxyphenyl)methyl]-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 2281299
N-[2-(4-methoxyphenyl)ethyl]-2-[2-(trifluoromethyl)anilino]acetamide
CID 109001307
N-[4-(4-methoxyphenyl)-6-phenylpyrimidin-2-yl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 46269845

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide (CID 56552526) is N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide is COc1ccc(CCCNC(=O)CNc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide?
The InChIKey is APVGTAMXDDLZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N2O2/c1-26-17-9-7-14(8-10-17)4-3-11-23-18(25)13-24-16-6-2-5-15(12-16)19(20,21)22/h2,5-10,12,24H,3-4,11,13H2,1H3,(H,23,25).
What are the key properties of N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide?
N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide has a molecular weight of 366.38 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methoxyphenyl)propyl]-2-[3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 56552526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).