N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide

C12H17FN2O2 — CID 102884002

IUPACN-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
SMILESCCC(N)CNC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C12H17FN2O2/c1-3-8(14)7-15-12(16)10-5-4-9(17-2)6-11(10)13/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyFSVYYEJBIHWIJE-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.30
Rot. Bonds5

About N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide

N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide (PubChem CID 102884002) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
PubChem CID102884002
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(2-aminobutyl)-2-fluoro-4-methoxybenzamide
SMILESCCC(N)CNC(=O)c1ccc(OC)cc1F
InChIInChI=1S/C12H17FN2O2/c1-3-8(14)7-15-12(16)10-5-4-9(17-2)6-11(10)13/h4-6,8H,3,7,14H2,1-2H3,(H,15,16)
InChIKeyFSVYYEJBIHWIJE-UHFFFAOYSA-N
XLogP1.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-hydroxybutyl)-4-methoxybenzamide
CID 102882133
N-(2-aminobutyl)-2,4-dimethoxybenzamide
CID 63731362
N-(3-ethyl-2-hydroxypentyl)-2-fluoro-4-methoxybenzamide
CID 103658335
N-(2-bromopropyl)-2-fluoro-4-methoxybenzamide
CID 102885225
N-(2-aminobutyl)-4-bromo-2-fluorobenzamide
CID 63732420
2-fluoro-4-methoxy-N-(2-methylsulfinylpropyl)benzamide
CID 103846823
2-fluoro-N-(1-hydroxybutan-2-yl)-4-methoxybenzamide
CID 103604548
ethyl 2-[(2-fluoro-4-methoxybenzoyl)amino]acetate
CID 87037221
N-(2-chloro-2-phenylethyl)-2-fluoro-4-methoxybenzamide
CID 102885176
N-[2-(ethylamino)-2-oxoethyl]-2-fluoro-4-methoxybenzamide
CID 9224867
2-fluoro-N,4-dimethoxybenzamide
CID 103606176
N-(2-chloroethyl)-2-fluoro-4-methoxybenzamide
CID 102883572

Frequently Asked Questions

What is the IUPAC name of N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide (CID 102884002) is N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide is CCC(N)CNC(=O)c1ccc(OC)cc1F.
What is the InChIKey of N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide?
The InChIKey is FSVYYEJBIHWIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-3-8(14)7-15-12(16)10-5-4-9(17-2)6-11(10)13/h4-6,8H,3,7,14H2,1-2H3,(H,15,16).
What are the key properties of N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide?
N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide has a molecular weight of 240.28 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminobutyl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 102884002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).