N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide

C14H15F3N2O — CID 54176693

IUPACN-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCC(C#N)N(C)C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O/c1-3-12(9-18)19(2)13(20)8-10-5-4-6-11(7-10)14(15,16)17/h4-7,12H,3,8H2,1-2H3
InChIKeyOYWWTSYCOFZVCL-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.01
Rot. Bonds4

About N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide

N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 54176693) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID54176693
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC NameN-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCC(C#N)N(C)C(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O/c1-3-12(9-18)19(2)13(20)8-10-5-4-6-11(7-10)14(15,16)17/h4-7,12H,3,8H2,1-2H3
InChIKeyOYWWTSYCOFZVCL-UHFFFAOYSA-N
XLogP3.01
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55579324
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 79377939
4-ethyl-1-[3-(trifluoromethyl)phenyl]hexan-2-one
CID 82920013
3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 60988760
2-[[3-(trifluoromethyl)phenyl]methyl]propanedinitrile
CID 56649771
3-(dimethylamino)-3-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-one
CID 79052661
N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 107202415
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119656004
N-[(2R)-1-hydroxybutan-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 103919761
2-[2-methylpropyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]acetic acid
CID 119192810
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
(4-cyano-2-ethoxyphenyl) 2-[3-(trifluoromethyl)phenyl]acetate
CID 8800017

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide (CID 54176693) is N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide is CCC(C#N)N(C)C(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OYWWTSYCOFZVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-3-12(9-18)19(2)13(20)8-10-5-4-6-11(7-10)14(15,16)17/h4-7,12H,3,8H2,1-2H3.
What are the key properties of N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 284.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 54176693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).