N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide

C19H26FNO4 — CID 112788177

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide
SMILESCC(NC(=O)COc1c(CO)cc(F)cc1CO)C1CC2CCC1C2
InChIInChI=1S/C19H26FNO4/c1-11(17-5-12-2-3-13(17)4-12)21-18(24)10-25-19-14(8-22)6-16(20)7-15(19)9-23/h6-7,11-13,17,22-23H,2-5,8-10H2,1H3,(H,21,24)
InChIKeyQCACKUUGKNDTCV-UHFFFAOYSA-N
MW351.42 g/mol
LogP2.13
Rot. Bonds7

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide (PubChem CID 112788177) has the molecular formula C19H26FNO4 and a molecular weight of 351.42 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide
PubChem CID112788177
Molecular FormulaC19H26FNO4
Molecular Weight351.42 g/mol
Exact Mass351.18
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide
SMILESCC(NC(=O)COc1c(CO)cc(F)cc1CO)C1CC2CCC1C2
InChIInChI=1S/C19H26FNO4/c1-11(17-5-12-2-3-13(17)4-12)21-18(24)10-25-19-14(8-22)6-16(20)7-15(19)9-23/h6-7,11-13,17,22-23H,2-5,8-10H2,1H3,(H,21,24)
InChIKeyQCACKUUGKNDTCV-UHFFFAOYSA-N
XLogP2.13
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 98370549
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 3878614
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 98305688
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-bromo-2-fluorophenoxy)acetamide
CID 42970246
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 98408205
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 98683871
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chlorophenoxy)acetamide
CID 129376161
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 98399064
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 129376495
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3-chlorophenoxy)acetamide
CID 98408218
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-quinazolin-4-yloxyacetamide
CID 98288358

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide (CID 112788177) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide is CC(NC(=O)COc1c(CO)cc(F)cc1CO)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide?
The InChIKey is QCACKUUGKNDTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO4/c1-11(17-5-12-2-3-13(17)4-12)21-18(24)10-25-19-14(8-22)6-16(20)7-15(19)9-23/h6-7,11-13,17,22-23H,2-5,8-10H2,1H3,(H,21,24).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide has a molecular weight of 351.42 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide is sourced from PubChem (CID 112788177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).