7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide

C17H27FN2O — CID 119796098

IUPAC7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide
SMILESCC(C)(CNC(=O)CCCCCCN)c1cccc(F)c1
InChIInChI=1S/C17H27FN2O/c1-17(2,14-8-7-9-15(18)12-14)13-20-16(21)10-5-3-4-6-11-19/h7-9,12H,3-6,10-11,13,19H2,1-2H3,(H,20,21)
InChIKeyRSEAYVGHPGWPHN-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.13
Rot. Bonds9

About 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide

7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide (PubChem CID 119796098) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide
PubChem CID119796098
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide
SMILESCC(C)(CNC(=O)CCCCCCN)c1cccc(F)c1
InChIInChI=1S/C17H27FN2O/c1-17(2,14-8-7-9-15(18)12-14)13-20-16(21)10-5-3-4-6-11-19/h7-9,12H,3-6,10-11,13,19H2,1-2H3,(H,20,21)
InChIKeyRSEAYVGHPGWPHN-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
7-amino-N-[2-(4-chlorophenyl)-2-methylpropyl]heptanamide
CID 119738039
4-amino-N-[2-(4-fluorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119318753
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
CID 115154464
2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 119796104
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051
4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115155544
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119951826
7-amino-N-[2-(3-fluoroanilino)-2-oxoethyl]heptanamide
CID 119758062
2-amino-2-(2-fluorophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 166261259

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide (CID 119796098) is 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide is CC(C)(CNC(=O)CCCCCCN)c1cccc(F)c1.
What is the InChIKey of 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide?
The InChIKey is RSEAYVGHPGWPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-17(2,14-8-7-9-15(18)12-14)13-20-16(21)10-5-3-4-6-11-19/h7-9,12H,3-6,10-11,13,19H2,1-2H3,(H,20,21).
What are the key properties of 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide?
7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide has a molecular weight of 294.41 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide is sourced from PubChem (CID 119796098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).