N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide

C13H19FN2O2 — CID 106243543

IUPACN-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide
SMILESCOCC(N)CCNC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C13H19FN2O2/c1-9-5-10(7-11(14)6-9)13(17)16-4-3-12(15)8-18-2/h5-7,12H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyZTSGQZMZDVZOEP-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.23
Rot. Bonds6

About N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide

N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide (PubChem CID 106243543) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide
PubChem CID106243543
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide
SMILESCOCC(N)CCNC(=O)c1cc(C)cc(F)c1
InChIInChI=1S/C13H19FN2O2/c1-9-5-10(7-11(14)6-9)13(17)16-4-3-12(15)8-18-2/h5-7,12H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyZTSGQZMZDVZOEP-UHFFFAOYSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methoxybutyl)-3-fluorobenzamide
CID 106243471
N-(3-amino-4-methoxybutyl)-3,5-dimethoxybenzamide
CID 106243059
N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide
CID 114163031
3-fluoro-N-(3-hydroxybutyl)-5-methylbenzamide
CID 115659969
N-(3-amino-4-methoxybutyl)-2,5-dimethylbenzamide
CID 114163030
N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide
CID 106153590
N-(3-amino-4-methoxybutyl)naphthalene-2-carboxamide
CID 106243297
N-(3-amino-4-methoxybutyl)-3-(trifluoromethyl)benzamide
CID 106243205
N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide
CID 106243052
N-(3-amino-4-methoxybutyl)-2-(3,4-dimethylphenyl)acetamide
CID 106242904
N-[2-(ethylamino)ethyl]-3-fluoro-5-methylbenzamide;hydrochloride
CID 119504618
3-fluoro-5-methyl-N-(3-methylsulfanylpropyl)benzamide
CID 122142996

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide (CID 106243543) is N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide is COCC(N)CCNC(=O)c1cc(C)cc(F)c1.
What is the InChIKey of N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide?
The InChIKey is ZTSGQZMZDVZOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9-5-10(7-11(14)6-9)13(17)16-4-3-12(15)8-18-2/h5-7,12H,3-4,8,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide?
N-(3-amino-4-methoxybutyl)-3-fluoro-5-methylbenzamide has a molecular weight of 254.30 g/mol, XLogP of 1.23, 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-fluoro-5-methylbenzamide is sourced from PubChem (CID 106243543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).