N-(3-amino-4-methoxybutyl)-3-fluorobenzamide

C12H17FN2O2 — CID 106243471

IUPACN-(3-amino-4-methoxybutyl)-3-fluorobenzamide
SMILESCOCC(N)CCNC(=O)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-17-8-11(14)5-6-15-12(16)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8,14H2,1H3,(H,15,16)
InChIKeyGVKCXBJFZLXZEB-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.92
Rot. Bonds6

About N-(3-amino-4-methoxybutyl)-3-fluorobenzamide

N-(3-amino-4-methoxybutyl)-3-fluorobenzamide (PubChem CID 106243471) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-3-fluorobenzamide
PubChem CID106243471
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(3-amino-4-methoxybutyl)-3-fluorobenzamide
SMILESCOCC(N)CCNC(=O)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O2/c1-17-8-11(14)5-6-15-12(16)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8,14H2,1H3,(H,15,16)
InChIKeyGVKCXBJFZLXZEB-UHFFFAOYSA-N
XLogP0.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243205
N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide
CID 106243543
N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide
CID 114163031
N-(3-amino-4-methoxybutyl)naphthalene-2-carboxamide
CID 106243297
N-(3-amino-3-phenylpropyl)-3-fluorobenzamide
CID 80506781
N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide
CID 106243059
N-(2-amino-3-methoxypropyl)-3-fluoro-N-methylbenzamide
CID 55243516
N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide
CID 106243052
2-amino-1-(3-fluorophenyl)-4-methoxybutan-1-one
CID 116567366
N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
CID 114163030
N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide
CID 120562623
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-3-fluorobenzamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-3-fluorobenzamide (CID 106243471) is N-(3-amino-4-methoxybutyl)-3-fluorobenzamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-3-fluorobenzamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-3-fluorobenzamide is COCC(N)CCNC(=O)c1cccc(F)c1.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-3-fluorobenzamide?
The InChIKey is GVKCXBJFZLXZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-17-8-11(14)5-6-15-12(16)9-3-2-4-10(13)7-9/h2-4,7,11H,5-6,8,14H2,1H3,(H,15,16).
What are the key properties of N-(3-amino-4-methoxybutyl)-3-fluorobenzamide?
N-(3-amino-4-methoxybutyl)-3-fluorobenzamide has a molecular weight of 240.28 g/mol, XLogP of 0.92, 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)-3-fluorobenzamide is sourced from PubChem (CID 106243471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).