N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

C23H17F3N2O2 — CID 60578153

IUPACN-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F3N2O2/c1-15-12-20(30-19-8-4-17(14-27)5-9-19)10-11-21(15)28-22(29)13-16-2-6-18(7-3-16)23(24,25)26/h2-12H,13H2,1H3,(H,28,29)
InChIKeyOACNLFVKHCAXOP-UHFFFAOYSA-N
MW410.40 g/mol
LogP5.86
Rot. Bonds5

About N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide

N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 60578153) has the molecular formula C23H17F3N2O2 and a molecular weight of 410.40 g/mol. Its IUPAC name is N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID60578153
Molecular FormulaC23H17F3N2O2
Molecular Weight410.40 g/mol
Exact Mass410.12
IUPAC NameN-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F3N2O2/c1-15-12-20(30-19-8-4-17(14-27)5-9-19)10-11-21(15)28-22(29)13-16-2-6-18(7-3-16)23(24,25)26/h2-12H,13H2,1H3,(H,28,29)
InChIKeyOACNLFVKHCAXOP-UHFFFAOYSA-N
XLogP5.86
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.40
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methyl-4-[4-(trifluoromethyl)phenoxy]anilino]ethene-1,1,2-tricarbonitrile
CID 168609850
N-(2,5-dimethoxyphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535021
2-[4-(4-cyanophenoxy)phenyl]-N-(3-methyl-1,2-thiazol-5-yl)acetamide
CID 11068060
N-[4-(4-bromophenoxy)-2-methylphenyl]-2-cyanoacetamide
CID 168521022
N-(4-methoxy-2-methylphenyl)-2-(4-methylphenyl)acetamide
CID 17087411
4-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile
CID 24723939
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-4,4,4-trifluorobutanamide
CID 122142915
N-(4-fluoro-2-methylphenyl)-2-(4-methoxyphenyl)acetamide
CID 2676308
N-(4-methoxy-2-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028761
N-[4-(4-cyanophenoxy)-2-methylphenyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 60578037
N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 7889939
3-(4-acetamidophenyl)-N-[4-(4-cyanophenoxy)-2-methylphenyl]prop-2-enamide
CID 76869742

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 60578153) is N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OACNLFVKHCAXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2/c1-15-12-20(30-19-8-4-17(14-27)5-9-19)10-11-21(15)28-22(29)13-16-2-6-18(7-3-16)23(24,25)26/h2-12H,13H2,1H3,(H,28,29).
What are the key properties of N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 410.40 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanophenoxy)-2-methylphenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 60578153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).