N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide

C18H20FNO4 — CID 170831246

IUPACN-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO4/c1-12(21)20-10-17(22)18(23)13-6-8-15(9-7-13)24-11-14-4-2-3-5-16(14)19/h2-9,17-18,22-23H,10-11H2,1H3,(H,20,21)
InChIKeyQAORMTMLDGESSH-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.94
Rot. Bonds7

About N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide

N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide (PubChem CID 170831246) has the molecular formula C18H20FNO4 and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide
PubChem CID170831246
Molecular FormulaC18H20FNO4
Molecular Weight333.36 g/mol
Exact Mass333.14
IUPAC NameN-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(OCc2ccccc2F)cc1
InChIInChI=1S/C18H20FNO4/c1-12(21)20-10-17(22)18(23)13-6-8-15(9-7-13)24-11-14-4-2-3-5-16(14)19/h2-9,17-18,22-23H,10-11H2,1H3,(H,20,21)
InChIKeyQAORMTMLDGESSH-UHFFFAOYSA-N
XLogP1.94
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropanoate
CID 171865239
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
1-fluoro-2-[(4-propan-2-ylphenoxy)methyl]benzene
CID 60627565
ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenoxy]acetate
CID 170831267
N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831226
1-[4-[(2-fluorophenyl)methoxy]phenyl]-N-methylethanamine
CID 43279242
N-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830578
4-(3-acetamido-1,2-dihydroxypropyl)benzoic acid
CID 170829918
4-[(2-fluorophenyl)methoxy]-N-(2-hydroxyethyl)benzamide
CID 111432867
1-[2-fluoro-4-[(2-fluorophenyl)methoxy]phenyl]ethanone
CID 91863363
N-[3-(2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829935
N-[3-(3-fluoro-4-hydrazinylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830022

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide (CID 170831246) is N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1ccc(OCc2ccccc2F)cc1.
What is the InChIKey of N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide?
The InChIKey is QAORMTMLDGESSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4/c1-12(21)20-10-17(22)18(23)13-6-8-15(9-7-13)24-11-14-4-2-3-5-16(14)19/h2-9,17-18,22-23H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide?
N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide has a molecular weight of 333.36 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170831246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).