N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride

C18H24ClFN2O — CID 170898691

IUPACN-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride
SMILESCC(C)[C@@H](N)CCN(C)C(=O)c1cccc2cc(F)ccc12.Cl
InChIInChI=1S/C18H23FN2O.ClH/c1-12(2)17(20)9-10-21(3)18(22)16-6-4-5-13-11-14(19)7-8-15(13)16;/h4-8,11-12,17H,9-10,20H2,1-3H3;1H/t17-;/m0./s1
InChIKeyUYBKBIVULGLAOM-LMOVPXPDSA-N
MW338.85 g/mol
LogP3.85
Rot. Bonds5

About N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride

N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride (PubChem CID 170898691) has the molecular formula C18H24ClFN2O and a molecular weight of 338.85 g/mol. Its IUPAC name is N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride
PubChem CID170898691
Molecular FormulaC18H24ClFN2O
Molecular Weight338.85 g/mol
Exact Mass338.16
IUPAC NameN-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride
SMILESCC(C)[C@@H](N)CCN(C)C(=O)c1cccc2cc(F)ccc12.Cl
InChIInChI=1S/C18H23FN2O.ClH/c1-12(2)17(20)9-10-21(3)18(22)16-6-4-5-13-11-14(19)7-8-15(13)16;/h4-8,11-12,17H,9-10,20H2,1-3H3;1H/t17-;/m0./s1
InChIKeyUYBKBIVULGLAOM-LMOVPXPDSA-N
XLogP3.85
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.85
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-amino-4-methylpentyl)-5-fluoro-N-methyl-2-nitrobenzamide;hydrochloride
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N-(3-amino-4-methylpentyl)-4-(4-fluorophenyl)-N-methyl-1H-pyrrole-3-carboxamide
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N-(3-amino-4-methylpentyl)-2-bromo-N-methylbenzamide;hydrochloride
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N-(3-amino-4-methylpentyl)-N-methylbenzo[f]quinoline-5-carboxamide;dihydrochloride
CID 119660116
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379
N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
CID 81484058
N-(3-amino-4-methylpentyl)-2-iodo-N,3-dimethylbenzamide;hydrochloride
CID 119658549
N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride
CID 119659700
N-(3-amino-4-methylpentyl)-5-fluoro-N,3-dimethyl-1-benzothiophene-2-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride?
The IUPAC name of N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride (CID 170898691) is N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride is CC(C)[C@@H](N)CCN(C)C(=O)c1cccc2cc(F)ccc12.Cl.
What is the InChIKey of N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride?
The InChIKey is UYBKBIVULGLAOM-LMOVPXPDSA-N. The full InChI is InChI=1S/C18H23FN2O.ClH/c1-12(2)17(20)9-10-21(3)18(22)16-6-4-5-13-11-14(19)7-8-15(13)16;/h4-8,11-12,17H,9-10,20H2,1-3H3;1H/t17-;/m0./s1.
What are the key properties of N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride?
N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride has a molecular weight of 338.85 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-amino-4-methylpentyl]-6-fluoro-N-methylnaphthalene-1-carboxamide;hydrochloride is sourced from PubChem (CID 170898691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).