3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride

C12H16ClF3N2O — CID 119949448

IUPAC3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
SMILESCl.NC(CC(=O)NCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H15F3N2O.ClH/c13-12(14,15)6-7-17-11(18)8-10(16)9-4-2-1-3-5-9;/h1-5,10H,6-8,16H2,(H,17,18);1H
InChIKeyRQXJNLAKJFXKGS-UHFFFAOYSA-N
MW296.72 g/mol
LogP2.57
Rot. Bonds5

About 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride

3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride (PubChem CID 119949448) has the molecular formula C12H16ClF3N2O and a molecular weight of 296.72 g/mol. Its IUPAC name is 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
PubChem CID119949448
Molecular FormulaC12H16ClF3N2O
Molecular Weight296.72 g/mol
Exact Mass296.09
IUPAC Name3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride
SMILESCl.NC(CC(=O)NCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H15F3N2O.ClH/c13-12(14,15)6-7-17-11(18)8-10(16)9-4-2-1-3-5-9;/h1-5,10H,6-8,16H2,(H,17,18);1H
InChIKeyRQXJNLAKJFXKGS-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.72
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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3-amino-N-(3-anilinopropyl)-3-phenylpropanamide;dihydrochloride
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4-[(3-amino-3-phenylpropanoyl)amino]butanamide
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CID 119951094
3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-amino-N-[3-oxo-3-(propan-2-ylamino)propyl]-3-phenylpropanamide
CID 115748650
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-3-phenylpropanamide
CID 24694165
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
3-amino-3-phenyl-N-(2-piperidin-1-ylethyl)propanamide;dihydrochloride
CID 119952838
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CID 119949886

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride (CID 119949448) is 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride is Cl.NC(CC(=O)NCCC(F)(F)F)c1ccccc1.
What is the InChIKey of 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride?
The InChIKey is RQXJNLAKJFXKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O.ClH/c13-12(14,15)6-7-17-11(18)8-10(16)9-4-2-1-3-5-9;/h1-5,10H,6-8,16H2,(H,17,18);1H.
What are the key properties of 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride?
3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride has a molecular weight of 296.72 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-phenyl-N-(3,3,3-trifluoropropyl)propanamide;hydrochloride is sourced from PubChem (CID 119949448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).