N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide

C12H15F3N4O2 — CID 107000067

IUPACN-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide
SMILESNCCNC(=O)c1ccccc1NC(=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)7-18-11(21)19-9-4-2-1-3-8(9)10(20)17-6-5-16/h1-4H,5-7,16H2,(H,17,20)(H2,18,19,21)
InChIKeyOBILZVLDTSMSJG-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.06
Rot. Bonds5

About N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide

N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide (PubChem CID 107000067) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide
PubChem CID107000067
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC NameN-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide
SMILESNCCNC(=O)c1ccccc1NC(=O)NCC(F)(F)F
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)7-18-11(21)19-9-4-2-1-3-8(9)10(20)17-6-5-16/h1-4H,5-7,16H2,(H,17,20)(H2,18,19,21)
InChIKeyOBILZVLDTSMSJG-UHFFFAOYSA-N
XLogP1.06
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-2-(4,4-dimethylpentanoylamino)benzamide
CID 120604437
N-(2-aminoethyl)-2-[(3,5-dibromophenyl)carbamoylamino]benzamide
CID 156854171
N-(2-aminoethyl)-2-(dimethylcarbamoylamino)benzamide
CID 107000060
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 8025476
N-(2-aminoethyl)-2-[3-[2-(trifluoromethyl)phenyl]butanoylamino]benzamide
CID 120604289
N-(2-aminoethyl)-2-(but-3-enoylamino)benzamide
CID 106999671
N-(2-aminoethyl)-2-[3-[4-(trifluoromethoxy)phenyl]propanoylamino]benzamide;hydrochloride
CID 120604454
N-(2-aminoethyl)-2-[(2-tert-butylsulfanylacetyl)amino]benzamide;hydrochloride
CID 120604222
N-(2-aminoethyl)-2-(3-phenylbutanoylamino)benzamide
CID 120604234
N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide
CID 120603507
2-[[(2R)-2-acetamidopropanoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 95625392

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide?
The IUPAC name of N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide (CID 107000067) is N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide?
The canonical SMILES for N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide is NCCNC(=O)c1ccccc1NC(=O)NCC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide?
The InChIKey is OBILZVLDTSMSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c13-12(14,15)7-18-11(21)19-9-4-2-1-3-8(9)10(20)17-6-5-16/h1-4H,5-7,16H2,(H,17,20)(H2,18,19,21).
What are the key properties of N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide?
N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide has a molecular weight of 304.27 g/mol, XLogP of 1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2,2,2-trifluoroethylcarbamoylamino)benzamide is sourced from PubChem (CID 107000067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).