N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide

C11H12F3N3O2 — CID 43315998

IUPACN-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESNCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-1-3-8(4-2-7)17-10(19)9(18)16-6-5-15/h1-4H,5-6,15H2,(H,16,18)(H,17,19)
InChIKeyBUOJGSVTBZFGTO-UHFFFAOYSA-N
MW275.23 g/mol
LogP0.72
Rot. Bonds3

About N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide

N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide (PubChem CID 43315998) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
PubChem CID43315998
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC NameN-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
SMILESNCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3N3O2/c12-11(13,14)7-1-3-8(4-2-7)17-10(19)9(18)16-6-5-15/h1-4H,5-6,15H2,(H,16,18)(H,17,19)
InChIKeyBUOJGSVTBZFGTO-UHFFFAOYSA-N
XLogP0.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
CID 43315800
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
N-[(2S)-2-hydroxypropyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 51471474
1-(4-aminobutyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 55102555
N-[2-(furan-3-yl)ethyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 90558521
N-(2-aminoethyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 43316008
N-(2-ethyl-2-hydroxybutyl)-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 48894809
4-amino-2-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 80542056
1-[4-(2-aminoethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154675698
2-amino-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]acetamide
CID 60848088
N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108530569
1-[3-(2-aminoethoxy)propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 106308105

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide (CID 43315998) is N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide is NCCNC(=O)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
The InChIKey is BUOJGSVTBZFGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c12-11(13,14)7-1-3-8(4-2-7)17-10(19)9(18)16-6-5-15/h1-4H,5-6,15H2,(H,16,18)(H,17,19).
What are the key properties of N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide?
N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide has a molecular weight of 275.23 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-[4-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 43315998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).