N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide

C12H14F3N3O2 — CID 118788732

IUPACN-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O2/c1-8(19)18(2)10-5-3-4-9(6-10)17-11(20)16-7-12(13,14)15/h3-6H,7H2,1-2H3,(H2,16,17,20)
InChIKeyJJMIZFIYMRXNQO-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.35
Rot. Bonds3

About N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide

N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide (PubChem CID 118788732) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
PubChem CID118788732
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC NameN-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(NC(=O)NCC(F)(F)F)c1
InChIInChI=1S/C12H14F3N3O2/c1-8(19)18(2)10-5-3-4-9(6-10)17-11(20)16-7-12(13,14)15/h3-6H,7H2,1-2H3,(H2,16,17,20)
InChIKeyJJMIZFIYMRXNQO-UHFFFAOYSA-N
XLogP2.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
1-[3-(methoxymethyl)phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 113224218
3-[[3-(dimethylamino)phenyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428993
1-(3-ethoxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 47332046
N-[3-(carbamoylamino)phenyl]-N-methylacetamide;molecular hydrogen
CID 162429371
1-(3-ethynylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 115583941
N-[3-[acetyl(methyl)amino]phenyl]-3-phenylpropanamide
CID 46761793
1-(4-hydroxy-3-methylphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 86795263
N-[3-[acetyl(methyl)amino]phenyl]-4-fluorobenzamide
CID 46761784
N-methyl-3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]propanamide
CID 74234598
(2R)-N-[3-[acetyl(methyl)amino]phenyl]-2-aminopropanamide
CID 119331740
N-methyl-N-[3-[[(3S)-3-(4-methylpiperazin-1-yl)butyl]carbamoylamino]phenyl]acetamide
CID 126451419

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide?
The IUPAC name of N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide (CID 118788732) is N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide is CC(=O)N(C)c1cccc(NC(=O)NCC(F)(F)F)c1.
What is the InChIKey of N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide?
The InChIKey is JJMIZFIYMRXNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c1-8(19)18(2)10-5-3-4-9(6-10)17-11(20)16-7-12(13,14)15/h3-6H,7H2,1-2H3,(H2,16,17,20).
What are the key properties of N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide?
N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide has a molecular weight of 289.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 118788732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).