N-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C12H12F6N2O — CID 103308990

IUPACN-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESNCCc1ccc(NC(=O)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C12H12F6N2O/c13-11(14,15)9(12(16,17)18)10(21)20-8-3-1-7(2-4-8)5-6-19/h1-4,9H,5-6,19H2,(H,20,21)
InChIKeyUTQUGKUWXKYDPS-UHFFFAOYSA-N
MW314.23 g/mol
LogP2.87
Rot. Bonds4

About N-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103308990) has the molecular formula C12H12F6N2O and a molecular weight of 314.23 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103308990
Molecular FormulaC12H12F6N2O
Molecular Weight314.23 g/mol
Exact Mass314.09
IUPAC NameN-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESNCCc1ccc(NC(=O)C(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C12H12F6N2O/c13-11(14,15)9(12(16,17)18)10(21)20-8-3-1-7(2-4-8)5-6-19/h1-4,9H,5-6,19H2,(H,20,21)
InChIKeyUTQUGKUWXKYDPS-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-aminoethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154675698
(2S)-2-amino-N-[4-(2-aminoethyl)phenyl]-2-phenylacetamide
CID 67245807
N-[4-(2-aminoethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 28754531
2-N,5-N-bis[4-(2-aminoethyl)phenyl]thiophene-2,5-dicarboxamide;2,2,2-trifluoroacetic acid
CID 175843411
(2S)-2-amino-3,3-dimethyl-N-[4-(3,3,3-trifluoropropyl)phenyl]butanamide
CID 119808845
N-[4-(2-aminoethyl)phenyl]-2-propan-2-yloxyacetamide
CID 112601731
N-[4-(2-aminoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 62301337
N-[4-(2-aminoethyl)phenyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205444
N-[4-(2-aminoethyl)phenyl]-2-hydroxybenzamide
CID 62303022
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
4-(2-aminoethyl)-N-(2,2-difluoropropyl)aniline
CID 84680353
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103308990) is N-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is NCCc1ccc(NC(=O)C(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is UTQUGKUWXKYDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F6N2O/c13-11(14,15)9(12(16,17)18)10(21)20-8-3-1-7(2-4-8)5-6-19/h1-4,9H,5-6,19H2,(H,20,21).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 314.23 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103308990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).