5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide

C17H21FN2O3 — CID 111539616

IUPAC5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1ccc(F)cc1C(=O)NCC1(O)CCC1
InChIInChI=1S/C17H21FN2O3/c1-10-7-12(10)16(22)20-14-4-3-11(18)8-13(14)15(21)19-9-17(23)5-2-6-17/h3-4,8,10,12,23H,2,5-7,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyRGHANNDMDREUFO-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.07
Rot. Bonds5

About 5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide

5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 111539616) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound Name5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID111539616
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCC1CC1C(=O)Nc1ccc(F)cc1C(=O)NCC1(O)CCC1
InChIInChI=1S/C17H21FN2O3/c1-10-7-12(10)16(22)20-14-4-3-11(18)8-13(14)15(21)19-9-17(23)5-2-6-17/h3-4,8,10,12,23H,2,5-7,9H2,1H3,(H,19,21)(H,20,22)
InChIKeyRGHANNDMDREUFO-UHFFFAOYSA-N
XLogP2.07
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-(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)-N-methyl-2-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 110907395
N-[3-(N-ethylanilino)propyl]-5-fluoro-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 124838994
5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 124738471
cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
CID 841868
N-[(1-hydroxycyclobutyl)methyl]-2-methylfuran-3-carboxamide
CID 111444909
2-amino-5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117687
cis-(1R,2S)-N-(5-fluoro-2-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 7777713
N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 71979004

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of 5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 111539616) is 5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for 5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for 5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide is CC1CC1C(=O)Nc1ccc(F)cc1C(=O)NCC1(O)CCC1.
What is the InChIKey of 5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is RGHANNDMDREUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-10-7-12(10)16(22)20-14-4-3-11(18)8-13(14)15(21)19-9-17(23)5-2-6-17/h3-4,8,10,12,23H,2,5-7,9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide?
5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 320.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(1-hydroxycyclobutyl)methyl]-2-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 111539616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).