N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide

C12H17FN2O2 — CID 107017124

IUPACN-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCC(N)CCN(C)C(=O)c1c(O)cccc1F
InChIInChI=1S/C12H17FN2O2/c1-8(14)6-7-15(2)12(17)11-9(13)4-3-5-10(11)16/h3-5,8,16H,6-7,14H2,1-2H3
InChIKeyVKPAJBISMSVGLY-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.34
Rot. Bonds4

About N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide

N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide (PubChem CID 107017124) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide
PubChem CID107017124
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC NameN-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCC(N)CCN(C)C(=O)c1c(O)cccc1F
InChIInChI=1S/C12H17FN2O2/c1-8(14)6-7-15(2)12(17)11-9(13)4-3-5-10(11)16/h3-5,8,16H,6-7,14H2,1-2H3
InChIKeyVKPAJBISMSVGLY-UHFFFAOYSA-N
XLogP1.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-2,6-difluoro-N-methylbenzamide
CID 81484058
ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate
CID 104917099
N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107016757
N-(2-aminoethyl)-2,6-difluoro-N-methylbenzamide
CID 61350833
N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107014890
N-(2-aminopropyl)-2,6-dihydroxy-N-methylbenzamide
CID 107691371
2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 104919951
2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 104917662
2-fluoro-6-hydroxy-N-methyl-N-(2-piperidin-4-ylethyl)benzamide
CID 107014722
2-fluoro-6-hydroxy-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 107015989
5-amino-1-(2,6-difluorophenyl)hexan-1-one
CID 116610101
3-amino-1-(2,6-difluorophenyl)butan-1-one
CID 81462317

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The IUPAC name of N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide (CID 107017124) is N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide is CC(N)CCN(C)C(=O)c1c(O)cccc1F.
What is the InChIKey of N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The InChIKey is VKPAJBISMSVGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(14)6-7-15(2)12(17)11-9(13)4-3-5-10(11)16/h3-5,8,16H,6-7,14H2,1-2H3.
What are the key properties of N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide?
N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide has a molecular weight of 240.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-fluoro-6-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107017124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).