4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide

C12H14F3N3O2 — CID 119290874

IUPAC4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESNCCC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)7-17-11(20)8-1-3-9(4-2-8)18-10(19)5-6-16/h1-4H,5-7,16H2,(H,17,20)(H,18,19)
InChIKeyBEOPRZCEEBUZLW-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.27
Rot. Bonds5

About 4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide

4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 119290874) has the molecular formula C12H14F3N3O2 and a molecular weight of 289.26 g/mol. Its IUPAC name is 4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID119290874
Molecular FormulaC12H14F3N3O2
Molecular Weight289.26 g/mol
Exact Mass289.10
IUPAC Name4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESNCCC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C12H14F3N3O2/c13-12(14,15)7-17-11(20)8-1-3-9(4-2-8)18-10(19)5-6-16/h1-4H,5-7,16H2,(H,17,20)(H,18,19)
InChIKeyBEOPRZCEEBUZLW-UHFFFAOYSA-N
XLogP1.27
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(7-aminoheptanoylamino)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726154
4-(carbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 47137889
4-(3-cyclohexylpropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 46803503
4-[[2-(4-phenylphenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46803416
4-[3-(2-ethoxyphenyl)propanoylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46585175
4-(3-methylbut-2-enoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 30822215
4-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]carbamoylamino]butanoic acid
CID 122075740
4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119298478
N-(4-acetamidophenyl)-3-aminopropanamide
CID 22692055
3-amino-N-(4-hydroxyphenyl)propanamide
CID 43710647
4-[(3-aminocyclopentanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 119726163
N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43055984

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide (CID 119290874) is 4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide is NCCC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is BEOPRZCEEBUZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2/c13-12(14,15)7-17-11(20)8-1-3-9(4-2-8)18-10(19)5-6-16/h1-4H,5-7,16H2,(H,17,20)(H,18,19).
What are the key properties of 4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide?
4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 289.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropanoylamino)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 119290874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).