N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide

C16H19FN2O2 — CID 106243052

IUPACN-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide
SMILESCOCC(N)CCNC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H19FN2O2/c1-21-10-11(18)8-9-19-16(20)14-6-7-15(17)13-5-3-2-4-12(13)14/h2-7,11H,8-10,18H2,1H3,(H,19,20)
InChIKeyIVNDWVMTBIDICC-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.07
Rot. Bonds6

About N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide

N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide (PubChem CID 106243052) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide
PubChem CID106243052
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide
SMILESCOCC(N)CCNC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C16H19FN2O2/c1-21-10-11(18)8-9-19-16(20)14-6-7-15(17)13-5-3-2-4-12(13)14/h2-7,11H,8-10,18H2,1H3,(H,19,20)
InChIKeyIVNDWVMTBIDICC-UHFFFAOYSA-N
XLogP2.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide
CID 114163031
N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide
CID 106153058
N-(3-amino-4-methoxybutyl)-3-fluorobenzamide
CID 106243471
1-(3-amino-4-methoxybutyl)-3-benzylurea
CID 106243722
4-fluoro-N-pentylnaphthalene-1-carboxamide
CID 114088205
N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
CID 114163030
N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide
CID 106243543
N-(3-amino-4-methoxybutyl)naphthalene-2-carboxamide
CID 106243297
4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
CID 114088224
4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide
CID 114088238
N-[2-(4-chlorophenyl)ethyl]-4-fluoronaphthalene-1-carboxamide
CID 673823
N-(3-amino-4-methoxybutyl)-3-methoxypyridine-4-carboxamide
CID 106243160

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide (CID 106243052) is N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide is COCC(N)CCNC(=O)c1ccc(F)c2ccccc12.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide?
The InChIKey is IVNDWVMTBIDICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-21-10-11(18)8-9-19-16(20)14-6-7-15(17)13-5-3-2-4-12(13)14/h2-7,11H,8-10,18H2,1H3,(H,19,20).
What are the key properties of N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide?
N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide is sourced from PubChem (CID 106243052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).