N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide

C14H21FN2O2 — CID 104929706

IUPACN-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide
SMILESCCN(CC)CC(C)NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-4-17(5-2)9-10(3)16-14(19)12-7-6-11(18)8-13(12)15/h6-8,10,18H,4-5,9H2,1-3H3,(H,16,19)
InChIKeyUXXDUPBMYPCODT-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.99
Rot. Bonds6

About N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide

N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide (PubChem CID 104929706) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide
PubChem CID104929706
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide
SMILESCCN(CC)CC(C)NC(=O)c1ccc(O)cc1F
InChIInChI=1S/C14H21FN2O2/c1-4-17(5-2)9-10(3)16-14(19)12-7-6-11(18)8-13(12)15/h6-8,10,18H,4-5,9H2,1-3H3,(H,16,19)
InChIKeyUXXDUPBMYPCODT-UHFFFAOYSA-N
XLogP1.99
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(diethylamino)propan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 103829876
2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104929818
N-[1-(diethylamino)propan-2-yl]-3-fluoropyridine-4-carboxamide
CID 115646514
2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674650
N-(1-aminobutan-2-yl)-2-fluoro-4-hydroxybenzamide
CID 107677142
3-bromo-N-[1-(diethylamino)propan-2-yl]-4-fluorobenzamide
CID 113244838
4-bromo-N-[1-(diethylamino)propan-2-yl]-2-sulfanylbenzamide
CID 107027574
2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 103941360
N-(1-cyanoethyl)-2-fluoro-4-hydroxybenzamide
CID 103941304
N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide
CID 126774589
3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107675134
2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
CID 107676818

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide (CID 104929706) is N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide is CCN(CC)CC(C)NC(=O)c1ccc(O)cc1F.
What is the InChIKey of N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is UXXDUPBMYPCODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-4-17(5-2)9-10(3)16-14(19)12-7-6-11(18)8-13(12)15/h6-8,10,18H,4-5,9H2,1-3H3,(H,16,19).
What are the key properties of N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide?
N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 268.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)propan-2-yl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 104929706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).