N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide

C12H15FN2O3 — CID 113304525

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H15FN2O3/c1-3-14-11(17)7(2)15-12(18)9-5-4-8(13)6-10(9)16/h4-7,16H,3H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyYGSYVOPRBREUAR-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.79
Rot. Bonds4

About N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide

N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide (PubChem CID 113304525) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide
PubChem CID113304525
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide
SMILESCCNC(=O)C(C)NC(=O)c1ccc(F)cc1O
InChIInChI=1S/C12H15FN2O3/c1-3-14-11(17)7(2)15-12(18)9-5-4-8(13)6-10(9)16/h4-7,16H,3H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyYGSYVOPRBREUAR-UHFFFAOYSA-N
XLogP0.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 47112870
4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 24683116
2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
methyl 2-[(4-fluoro-2-hydroxybenzoyl)amino]propanoate
CID 107015165
4-fluoro-N-hexan-2-yl-2-hydroxybenzamide
CID 107015212
2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51206303
N-[1-(diethylamino)propan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 103829876
3-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,5-difluorobenzamide
CID 107120558
4-fluoro-2-hydroxy-N-[3-(2-methylpropanoylamino)propyl]benzamide
CID 86814360
N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide
CID 107016853
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
CID 92541927
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 42908748

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide (CID 113304525) is N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide is CCNC(=O)C(C)NC(=O)c1ccc(F)cc1O.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide?
The InChIKey is YGSYVOPRBREUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-3-14-11(17)7(2)15-12(18)9-5-4-8(13)6-10(9)16/h4-7,16H,3H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide has a molecular weight of 254.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 113304525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).