2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde

C12H15F3N2O2 — CID 143453509

IUPAC2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde
SMILESCNCC(N)=O.O=CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7F3O.C3H8N2O/c10-9(11,12)8-3-1-2-7(6-8)4-5-13;1-5-2-3(4)6/h1-3,5-6H,4H2;5H,2H2,1H3,(H2,4,6)
InChIKeyZGWVPBRBBCJAJR-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.14
Rot. Bonds4

About 2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde

2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde (PubChem CID 143453509) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde
PubChem CID143453509
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde
SMILESCNCC(N)=O.O=CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H7F3O.C3H8N2O/c10-9(11,12)8-3-1-2-7(6-8)4-5-13;1-5-2-3(4)6/h1-3,5-6H,4H2;5H,2H2,1H3,(H2,4,6)
InChIKeyZGWVPBRBBCJAJR-UHFFFAOYSA-N
XLogP1.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[3-(trifluoromethyl)phenyl]ethylideneamino]urea
CID 131851267
propan-2-one;3-[3-(trifluoromethyl)phenyl]propanal
CID 142437514
3-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43090002
methyl 2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 60691144
carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
methyl 2-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoate
CID 60637965
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
CID 28684436
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol
CID 67931210
2-(methylamino)-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 120703341
1-(prop-2-ynylamino)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 116589424

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde?
The IUPAC name of 2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde (CID 143453509) is 2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde?
The canonical SMILES for 2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde is CNCC(N)=O.O=CCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde?
The InChIKey is ZGWVPBRBBCJAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O.C3H8N2O/c10-9(11,12)8-3-1-2-7(6-8)4-5-13;1-5-2-3(4)6/h1-3,5-6H,4H2;5H,2H2,1H3,(H2,4,6).
What are the key properties of 2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde?
2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde has a molecular weight of 276.26 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)acetamide;2-[3-(trifluoromethyl)phenyl]acetaldehyde is sourced from PubChem (CID 143453509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).