3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide

C17H20F2N2O3 — CID 110011782

IUPAC3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cc(F)cc(F)c1)NC1C2CCC(C2)C1CO
InChIInChI=1S/C17H20F2N2O3/c18-12-4-11(5-13(19)6-12)17(24)20-7-15(23)21-16-10-2-1-9(3-10)14(16)8-22/h4-6,9-10,14,16,22H,1-3,7-8H2,(H,20,24)(H,21,23)
InChIKeyZDUSOHMXNYDDFQ-UHFFFAOYSA-N
MW338.35 g/mol
LogP1.22
Rot. Bonds5

About 3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide

3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide (PubChem CID 110011782) has the molecular formula C17H20F2N2O3 and a molecular weight of 338.35 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide
PubChem CID110011782
Molecular FormulaC17H20F2N2O3
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1cc(F)cc(F)c1)NC1C2CCC(C2)C1CO
InChIInChI=1S/C17H20F2N2O3/c18-12-4-11(5-13(19)6-12)17(24)20-7-15(23)21-16-10-2-1-9(3-10)14(16)8-22/h4-6,9-10,14,16,22H,1-3,7-8H2,(H,20,24)(H,21,23)
InChIKeyZDUSOHMXNYDDFQ-UHFFFAOYSA-N
XLogP1.22
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide with MolForge

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Related Compounds

2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid
CID 43387598
3-bromo-N-[2-(cyclohexylamino)-2-oxoethyl]-5-fluorobenzamide
CID 110625264
1-[(4-fluorophenyl)methyl]-3-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]urea
CID 111434470
3,5-difluoro-N-[2-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]benzamide
CID 96526018
3,5-difluoro-N-[2-[[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]benzamide
CID 96526023
3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120
N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-3,5-difluorobenzamide
CID 86796436
cis-(1R,3S)-3-[[2-[(3-fluorobenzoyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 120678933
3,5-difluoro-N-[2-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-oxoethyl]benzamide
CID 99824173
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 75393319
N-[2-(cyclopropylamino)-2-oxoethyl]-3,5-difluoro-4-(methylamino)benzamide
CID 63184835
N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide
CID 111483465

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide (CID 110011782) is 3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1cc(F)cc(F)c1)NC1C2CCC(C2)C1CO.
What is the InChIKey of 3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide?
The InChIKey is ZDUSOHMXNYDDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O3/c18-12-4-11(5-13(19)6-12)17(24)20-7-15(23)21-16-10-2-1-9(3-10)14(16)8-22/h4-6,9-10,14,16,22H,1-3,7-8H2,(H,20,24)(H,21,23).
What are the key properties of 3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide?
3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide has a molecular weight of 338.35 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 110011782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).