7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride

C15H21ClF4N2O2 — CID 119785431

IUPAC7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(F)cc1OCC(F)(F)F
InChIInChI=1S/C15H20F4N2O2.ClH/c16-11-6-7-12(13(9-11)23-10-15(17,18)19)21-14(22)5-3-1-2-4-8-20;/h6-7,9H,1-5,8,10,20H2,(H,21,22);1H
InChIKeySXJODYFAVRUKCA-UHFFFAOYSA-N
MW372.79 g/mol
LogP4.04
Rot. Bonds9

About 7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride

7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride (PubChem CID 119785431) has the molecular formula C15H21ClF4N2O2 and a molecular weight of 372.79 g/mol. Its IUPAC name is 7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride
PubChem CID119785431
Molecular FormulaC15H21ClF4N2O2
Molecular Weight372.79 g/mol
Exact Mass372.12
IUPAC Name7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(F)cc1OCC(F)(F)F
InChIInChI=1S/C15H20F4N2O2.ClH/c16-11-6-7-12(13(9-11)23-10-15(17,18)19)21-14(22)5-3-1-2-4-8-20;/h6-7,9H,1-5,8,10,20H2,(H,21,22);1H
InChIKeySXJODYFAVRUKCA-UHFFFAOYSA-N
XLogP4.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 119302270
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
2-(6-aminohexanoylamino)-5-fluorobenzoic acid
CID 61157607
2-amino-N-[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 119324701
6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide
CID 43700692
3-[[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]propanoic acid
CID 122084699
7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide
CID 119873503
4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120559676
7-amino-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]heptanamide;hydrochloride
CID 119746942
5-chloro-N-(4-fluoro-2-methoxyphenyl)pentanamide
CID 54967245
N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride
CID 119844812

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride (CID 119785431) is 7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccc(F)cc1OCC(F)(F)F.
What is the InChIKey of 7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride?
The InChIKey is SXJODYFAVRUKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2O2.ClH/c16-11-6-7-12(13(9-11)23-10-15(17,18)19)21-14(22)5-3-1-2-4-8-20;/h6-7,9H,1-5,8,10,20H2,(H,21,22);1H.
What are the key properties of 7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride?
7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride has a molecular weight of 372.79 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119785431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).