4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride

C11H14ClF3N2O2 — CID 119262786

IUPAC4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2.ClH/c12-11(13,14)18-9-5-3-8(4-6-9)16-10(17)2-1-7-15;/h3-6H,1-2,7,15H2,(H,16,17);1H
InChIKeyLXZRHUUMUWFBAT-UHFFFAOYSA-N
MW298.69 g/mol
LogP2.68
Rot. Bonds5

About 4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride

4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride (PubChem CID 119262786) has the molecular formula C11H14ClF3N2O2 and a molecular weight of 298.69 g/mol. Its IUPAC name is 4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride
PubChem CID119262786
Molecular FormulaC11H14ClF3N2O2
Molecular Weight298.69 g/mol
Exact Mass298.07
IUPAC Name4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2.ClH/c12-11(13,14)18-9-5-3-8(4-6-9)16-10(17)2-1-7-15;/h3-6H,1-2,7,15H2,(H,16,17);1H
InChIKeyLXZRHUUMUWFBAT-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.69
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride (CID 119262786) is 4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride is Cl.NCCCC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride?
The InChIKey is LXZRHUUMUWFBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2.ClH/c12-11(13,14)18-9-5-3-8(4-6-9)16-10(17)2-1-7-15;/h3-6H,1-2,7,15H2,(H,16,17);1H.
What are the key properties of 4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride?
4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride has a molecular weight of 298.69 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(trifluoromethoxy)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119262786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).