5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide

C15H19FN2O3 — CID 110907395

IUPAC5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1ccc(F)cc1C(=O)N(C)CCO
InChIInChI=1S/C15H19FN2O3/c1-9-7-11(9)14(20)17-13-4-3-10(16)8-12(13)15(21)18(2)5-6-19/h3-4,8-9,11,19H,5-7H2,1-2H3,(H,17,20)
InChIKeyPSXDZWSYXDQPGN-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.48
Rot. Bonds5

About 5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide

5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 110907395) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound Name5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID110907395
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1ccc(F)cc1C(=O)N(C)CCO
InChIInChI=1S/C15H19FN2O3/c1-9-7-11(9)14(20)17-13-4-3-10(16)8-12(13)15(21)18(2)5-6-19/h3-4,8-9,11,19H,5-7H2,1-2H3,(H,17,20)
InChIKeyPSXDZWSYXDQPGN-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(N-ethylanilino)propyl]-5-fluoro-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 124838994
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 111539616
cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
CID 841868
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 94646964
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 124839611
N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 71979004
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
N-(1,4-dioxan-2-ylmethyl)-5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 71938305
5-fluoro-2-[(2-methylcyclopropanecarbonyl)amino]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]benzamide
CID 60556282
5-fluoro-N-(2-hydroxyethyl)-2-methoxy-N-methylbenzamide
CID 110886002
cis-(1R,2S)-N-[2-[(3R)-3-ethylpiperidine-1-carbonyl]-4-fluorophenyl]-2-methylcyclopropane-1-carboxamide
CID 95233166

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of 5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 110907395) is 5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for 5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for 5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC1CC1C(=O)Nc1ccc(F)cc1C(=O)N(C)CCO.
What is the InChIKey of 5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is PSXDZWSYXDQPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9-7-11(9)14(20)17-13-4-3-10(16)8-12(13)15(21)18(2)5-6-19/h3-4,8-9,11,19H,5-7H2,1-2H3,(H,17,20).
What are the key properties of 5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide?
5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 294.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-hydroxyethyl)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 110907395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).