7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide

C16H24F2N2O2 — CID 119768175

IUPAC7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide
SMILESCc1ccc(NC(=O)CCCCCCN)cc1OCC(F)F
InChIInChI=1S/C16H24F2N2O2/c1-12-7-8-13(10-14(12)22-11-15(17)18)20-16(21)6-4-2-3-5-9-19/h7-8,10,15H,2-6,9,11,19H2,1H3,(H,20,21)
InChIKeyNJYOUNPOYZFWEN-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.49
Rot. Bonds10

About 7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide

7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide (PubChem CID 119768175) has the molecular formula C16H24F2N2O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide
PubChem CID119768175
Molecular FormulaC16H24F2N2O2
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide
SMILESCc1ccc(NC(=O)CCCCCCN)cc1OCC(F)F
InChIInChI=1S/C16H24F2N2O2/c1-12-7-8-13(10-14(12)22-11-15(17)18)20-16(21)6-4-2-3-5-9-19/h7-8,10,15H,2-6,9,11,19H2,1H3,(H,20,21)
InChIKeyNJYOUNPOYZFWEN-UHFFFAOYSA-N
XLogP3.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.49
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-[3-(difluoromethoxy)-4-methylphenyl]butanamide
CID 119325432
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119768192
6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
4-amino-N-[4-methyl-3-(3-methylbutoxy)phenyl]butanamide;hydrochloride
CID 119332237
7-amino-N-[2-(2,2-difluoroethoxy)phenyl]heptanamide
CID 119814461
6-amino-N-(3-bromo-4-methylphenyl)hexanamide
CID 63334946
N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119768220
5-(7-aminoheptanoylamino)-2-methylbenzoic acid
CID 63652626
7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
CID 119704606
2-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]-3-methylpentanamide;hydrochloride
CID 119768212
6-amino-N-[2-methyl-5-(propanoylamino)phenyl]hexanamide
CID 43700728
6-amino-N-(4-bromo-3-methoxyphenyl)hexanamide
CID 82867477

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide?
The IUPAC name of 7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide (CID 119768175) is 7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide.
What is the SMILES notation for 7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide?
The canonical SMILES for 7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide is Cc1ccc(NC(=O)CCCCCCN)cc1OCC(F)F.
What is the InChIKey of 7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide?
The InChIKey is NJYOUNPOYZFWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2/c1-12-7-8-13(10-14(12)22-11-15(17)18)20-16(21)6-4-2-3-5-9-19/h7-8,10,15H,2-6,9,11,19H2,1H3,(H,20,21).
What are the key properties of 7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide?
7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide has a molecular weight of 314.38 g/mol, XLogP of 3.49, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(2,2-difluoroethoxy)-4-methylphenyl]heptanamide is sourced from PubChem (CID 119768175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).