4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride

C12H15ClF4N2O — CID 120559768

IUPAC4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1cc(C(F)(F)F)ccc1F.Cl
InChIInChI=1S/C12H14F4N2O.ClH/c1-7(17)2-5-11(19)18-10-6-8(12(14,15)16)3-4-9(10)13;/h3-4,6-7H,2,5,17H2,1H3,(H,18,19);1H
InChIKeyUKDRBFUTCJLNGN-UHFFFAOYSA-N
MW314.71 g/mol
LogP3.33
Rot. Bonds4

About 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride

4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride (PubChem CID 120559768) has the molecular formula C12H15ClF4N2O and a molecular weight of 314.71 g/mol. Its IUPAC name is 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
PubChem CID120559768
Molecular FormulaC12H15ClF4N2O
Molecular Weight314.71 g/mol
Exact Mass314.08
IUPAC Name4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)Nc1cc(C(F)(F)F)ccc1F.Cl
InChIInChI=1S/C12H14F4N2O.ClH/c1-7(17)2-5-11(19)18-10-6-8(12(14,15)16)3-4-9(10)13;/h3-4,6-7H,2,5,17H2,1H3,(H,18,19);1H
InChIKeyUKDRBFUTCJLNGN-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.71
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 82010864
4-amino-N-(5-bromo-2-fluorophenyl)pentanamide;hydrochloride
CID 120559836
(2S)-2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119279745
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
4-amino-N-[2-(2,2-difluoroethylsulfanyl)-5-(trifluoromethyl)phenyl]pentanamide
CID 120563046
2-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 63037220
3-[2-fluoro-5-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 63049503
5-chloro-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide
CID 55143429
2-amino-2-ethyl-N-[2-fluoro-5-(trifluoromethyl)phenyl]butanamide
CID 79814613
3-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119280151
2-(tert-butylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 78953142
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 114042936

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride (CID 120559768) is 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride is CC(N)CCC(=O)Nc1cc(C(F)(F)F)ccc1F.Cl.
What is the InChIKey of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride?
The InChIKey is UKDRBFUTCJLNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O.ClH/c1-7(17)2-5-11(19)18-10-6-8(12(14,15)16)3-4-9(10)13;/h3-4,6-7H,2,5,17H2,1H3,(H,18,19);1H.
What are the key properties of 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride?
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride has a molecular weight of 314.71 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120559768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).