7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide

C15H22F2N2O2 — CID 119814461

IUPAC7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccccc1OCC(F)F
InChIInChI=1S/C15H22F2N2O2/c16-14(17)11-21-13-8-5-4-7-12(13)19-15(20)9-3-1-2-6-10-18/h4-5,7-8,14H,1-3,6,9-11,18H2,(H,19,20)
InChIKeyQFXJOAWRMHQSJE-UHFFFAOYSA-N
MW300.35 g/mol
LogP3.18
Rot. Bonds10

About 7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide

7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide (PubChem CID 119814461) has the molecular formula C15H22F2N2O2 and a molecular weight of 300.35 g/mol. Its IUPAC name is 7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide
PubChem CID119814461
Molecular FormulaC15H22F2N2O2
Molecular Weight300.35 g/mol
Exact Mass300.16
IUPAC Name7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide
SMILESNCCCCCCC(=O)Nc1ccccc1OCC(F)F
InChIInChI=1S/C15H22F2N2O2/c16-14(17)11-21-13-8-5-4-7-12(13)19-15(20)9-3-1-2-6-10-18/h4-5,7-8,14H,1-3,6,9-11,18H2,(H,19,20)
InChIKeyQFXJOAWRMHQSJE-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 53.18
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

N-[2-(2,2-difluoroethoxy)phenyl]-4-(methylamino)butanamide
CID 119814465
N,N'-bis[2-(2-methylpropoxy)phenyl]nonanediamide
CID 17074526
4-amino-N-[2-(2,2-difluoroethoxy)phenyl]pentanamide;hydrochloride
CID 120563816
7-amino-N-(2-methoxyphenyl)heptanamide;hydrochloride
CID 119670519
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
7-amino-N-(2-propan-2-yloxyphenyl)heptanamide;hydrochloride
CID 119714847
4-amino-N-(2-ethoxyphenyl)butanamide;hydrochloride
CID 119263924
7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide
CID 119768175
6-amino-N-(2-methylsulfanylphenyl)hexanamide
CID 43702694
12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
(2S)-2-amino-N-[2-(2,2-difluoroethoxy)phenyl]propanamide;hydrochloride
CID 119341255

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide (CID 119814461) is 7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide is NCCCCCCC(=O)Nc1ccccc1OCC(F)F.
What is the InChIKey of 7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide?
The InChIKey is QFXJOAWRMHQSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O2/c16-14(17)11-21-13-8-5-4-7-12(13)19-15(20)9-3-1-2-6-10-18/h4-5,7-8,14H,1-3,6,9-11,18H2,(H,19,20).
What are the key properties of 7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide?
7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide has a molecular weight of 300.35 g/mol, XLogP of 3.18, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide is sourced from PubChem (CID 119814461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).