N-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide

C16H23FN2O — CID 10265572

IUPACN-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CC)C1CCc2cc(F)c(N)cc2C1
InChIInChI=1S/C16H23FN2O/c1-3-7-19(16(20)4-2)13-6-5-11-9-14(17)15(18)10-12(11)8-13/h9-10,13H,3-8,18H2,1-2H3
InChIKeyNNUJODXXQDTKPK-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.91
Rot. Bonds4

About N-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide

N-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide (PubChem CID 10265572) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is N-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide.

Molecular Properties

Compound NameN-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide
PubChem CID10265572
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC NameN-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CC)C1CCc2cc(F)c(N)cc2C1
InChIInChI=1S/C16H23FN2O/c1-3-7-19(16(20)4-2)13-6-5-11-9-14(17)15(18)10-12(11)8-13/h9-10,13H,3-8,18H2,1-2H3
InChIKeyNNUJODXXQDTKPK-UHFFFAOYSA-N
XLogP2.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide?
The IUPAC name of N-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide (CID 10265572) is N-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide.
What is the SMILES notation for N-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide?
The canonical SMILES for N-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide is CCCN(C(=O)CC)C1CCc2cc(F)c(N)cc2C1.
What is the InChIKey of N-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide?
The InChIKey is NNUJODXXQDTKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-3-7-19(16(20)4-2)13-6-5-11-9-14(17)15(18)10-12(11)8-13/h9-10,13H,3-8,18H2,1-2H3.
What are the key properties of N-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide?
N-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide has a molecular weight of 278.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide is sourced from PubChem (CID 10265572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).