N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide

C12H12F6N2O — CID 130381501

IUPACN-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESNCCNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F6N2O/c13-11(14,15)8-3-7(5-10(21)20-2-1-19)4-9(6-8)12(16,17)18/h3-4,6H,1-2,5,19H2,(H,20,21)
InChIKeyKGASBHVUJNRXJD-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.34
Rot. Bonds4

About N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide

N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide (PubChem CID 130381501) has the molecular formula C12H12F6N2O and a molecular weight of 314.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
PubChem CID130381501
Molecular FormulaC12H12F6N2O
Molecular Weight314.23 g/mol
Exact Mass314.09
IUPAC NameN-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide
SMILESNCCNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H12F6N2O/c13-11(14,15)8-3-7(5-10(21)20-2-1-19)4-9(6-8)12(16,17)18/h3-4,6H,1-2,5,19H2,(H,20,21)
InChIKeyKGASBHVUJNRXJD-UHFFFAOYSA-N
XLogP2.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.23
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide
CID 22370523
2-[3,5-bis(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 87486222
N-(2-aminoethyl)-3-iodo-5-(trifluoromethyl)benzamide
CID 119384158
N-[(2S)-2,5-diaminopentyl]-2-[3-methyl-5-(trifluoromethyl)phenyl]acetamide
CID 158741850
N-(2-aminoethyl)-2-(4-aminophenyl)acetamide
CID 55032139
N'-[[3,5-bis(trifluoromethyl)phenyl]methyl]butanediamide
CID 143135379
N-(2-aminoethyl)-2-(4-methoxy-3,5-dimethylphenyl)acetamide
CID 110832932
N-(2-aminoethyl)-2-(4-chloro-3-fluorophenyl)acetamide
CID 110832954
N-[2-(diethylamino)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 78773980
N-(2-aminoethyl)-2-(3-bromo-4-fluorophenyl)acetamide;hydrochloride
CID 119384307
2-amino-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]acetamide
CID 58597427
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpropanamide
CID 153344454

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide (CID 130381501) is N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide is NCCNC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide?
The InChIKey is KGASBHVUJNRXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6N2O/c13-11(14,15)8-3-7(5-10(21)20-2-1-19)4-9(6-8)12(16,17)18/h3-4,6H,1-2,5,19H2,(H,20,21).
What are the key properties of N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide?
N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide has a molecular weight of 314.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[3,5-bis(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 130381501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).