N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide

C13H19FN2O2 — CID 71975942

IUPACN-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide
SMILESCC(CCN(C)C)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H19FN2O2/c1-9(6-7-16(2)3)15-13(18)11-8-10(14)4-5-12(11)17/h4-5,8-9,17H,6-7H2,1-3H3,(H,15,18)
InChIKeyZOGVWNFGGCIKRI-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.60
Rot. Bonds5

About N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide

N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide (PubChem CID 71975942) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide
PubChem CID71975942
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC NameN-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide
SMILESCC(CCN(C)C)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H19FN2O2/c1-9(6-7-16(2)3)15-13(18)11-8-10(14)4-5-12(11)17/h4-5,8-9,17H,6-7H2,1-3H3,(H,15,18)
InChIKeyZOGVWNFGGCIKRI-UHFFFAOYSA-N
XLogP1.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide
CID 54968038
6-[(5-fluoro-2-hydroxybenzoyl)amino]-2-methylheptanoic acid
CID 115298555
N-(4-ethylsulfanylbutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 115681959
5-fluoro-2-hydroxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103852374
5-fluoro-2-hydroxy-N-(3-oxopentan-2-yl)benzamide
CID 115298768
N-[1-(diethylamino)-1-oxopropan-2-yl]-5-fluoro-2-hydroxybenzamide
CID 115883686
ethyl 2-[(5-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 115298966
(2S)-2-[(5-fluoro-2-hydroxybenzoyl)amino]-3-methylpentanoic acid
CID 113281512
N-(1-aminopentan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 113281709
(4S)-4-[(5-fluoro-2-methylbenzoyl)amino]pentanoic acid
CID 95359084
4-fluoro-N-hexan-2-yl-2-hydroxybenzamide
CID 107015212
5-fluoro-N-hex-1-yn-3-yl-2-hydroxybenzamide
CID 103529109

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide (CID 71975942) is N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide is CC(CCN(C)C)NC(=O)c1cc(F)ccc1O.
What is the InChIKey of N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide?
The InChIKey is ZOGVWNFGGCIKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(6-7-16(2)3)15-13(18)11-8-10(14)4-5-12(11)17/h4-5,8-9,17H,6-7H2,1-3H3,(H,15,18).
What are the key properties of N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide?
N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide has a molecular weight of 254.31 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butan-2-yl]-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 71975942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).