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

C13H15FN2O3 — CID 107676814

IUPACN-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(O)cc1F)C(=O)NC1CC1
InChIInChI=1S/C13H15FN2O3/c1-7(12(18)16-8-2-3-8)15-13(19)10-5-4-9(17)6-11(10)14/h4-8,17H,2-3H2,1H3,(H,15,19)(H,16,18)
InChIKeyUDTGWAMZJNDLBU-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.93
Rot. Bonds4

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

N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide (PubChem CID 107676814) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide
PubChem CID107676814
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC NameN-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide
SMILESCC(NC(=O)c1ccc(O)cc1F)C(=O)NC1CC1
InChIInChI=1S/C13H15FN2O3/c1-7(12(18)16-8-2-3-8)15-13(19)10-5-4-9(17)6-11(10)14/h4-8,17H,2-3H2,1H3,(H,15,19)(H,16,18)
InChIKeyUDTGWAMZJNDLBU-UHFFFAOYSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-fluoro-4-hydroxybenzoyl)amino]propanoic acid
CID 107674650
N-[4-(ethylamino)cyclohexyl]-2-fluoro-4-hydroxybenzamide
CID 107675625
5-bromo-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 113407761
2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
CID 107676818
2-fluoro-4-hydroxy-N-(2-propan-2-ylcyclohexyl)benzamide
CID 107676775
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103940037
N-(1-cyanoethyl)-2-fluoro-4-hydroxybenzamide
CID 103941304
3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-methylbutanoic acid
CID 107675134
N-[(1S)-1-cyanoethyl]-2-fluoro-4-hydroxybenzamide
CID 126774589
cis-(1R,3S)-3-[(2-fluoro-4-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 114173210
2-fluoro-4-hydroxy-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 104929818
N-(2-amino-1-cyclopropylethyl)-2-fluoro-4-hydroxybenzamide
CID 107677141

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide (CID 107676814) is N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide is CC(NC(=O)c1ccc(O)cc1F)C(=O)NC1CC1.
What is the InChIKey of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is UDTGWAMZJNDLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-7(12(18)16-8-2-3-8)15-13(19)10-5-4-9(17)6-11(10)14/h4-8,17H,2-3H2,1H3,(H,15,19)(H,16,18).
What are the key properties of N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide?
N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 266.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 107676814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).