(3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide

C22H20FNO4 — CID 97064404

IUPAC(3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)C[C@@H](O)c2cccc(F)c2)cc1
InChIInChI=1S/C22H20FNO4/c1-27-20-7-2-3-8-21(20)28-18-11-9-17(10-12-18)24-22(26)14-19(25)15-5-4-6-16(23)13-15/h2-13,19,25H,14H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyLRPJGWNRKABGGE-LJQANCHMSA-N
MW381.40 g/mol
LogP4.69
Rot. Bonds7

About (3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide

(3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide (PubChem CID 97064404) has the molecular formula C22H20FNO4 and a molecular weight of 381.40 g/mol. Its IUPAC name is (3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide.

Molecular Properties

Compound Name(3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide
PubChem CID97064404
Molecular FormulaC22H20FNO4
Molecular Weight381.40 g/mol
Exact Mass381.14
IUPAC Name(3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)C[C@@H](O)c2cccc(F)c2)cc1
InChIInChI=1S/C22H20FNO4/c1-27-20-7-2-3-8-21(20)28-18-11-9-17(10-12-18)24-22(26)14-19(25)15-5-4-6-16(23)13-15/h2-13,19,25H,14H2,1H3,(H,24,26)/t19-/m1/s1
InChIKeyLRPJGWNRKABGGE-LJQANCHMSA-N
XLogP4.69
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 27901848
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
N-[4-(2-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)acetamide
CID 27901681
3-(3-fluorophenyl)-3-hydroxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylpropanamide
CID 84595839
2-[4-[[3-(3-fluorophenyl)-3-hydroxypropanoyl]amino]-2,6-dimethylphenoxy]acetic acid
CID 167873816
N-[4-(2-methoxyphenoxy)phenyl]-3-phenoxypropanamide
CID 27901730
N-(3,5-dimethoxyphenyl)-3-(3-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 46342767
7-amino-N-[4-(2-methoxyphenoxy)phenyl]heptanamide;hydrochloride
CID 119697280
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 27901858
1-(3-fluorophenyl)-2-[(2-methoxyphenyl)methylamino]ethanol
CID 60896885
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
N-[4-(2-methoxyphenoxy)phenyl]-2-thiophen-2-ylsulfanylacetamide
CID 43066844

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide?
The IUPAC name of (3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide (CID 97064404) is (3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide.
What is the SMILES notation for (3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide?
The canonical SMILES for (3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide is COc1ccccc1Oc1ccc(NC(=O)C[C@@H](O)c2cccc(F)c2)cc1.
What is the InChIKey of (3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide?
The InChIKey is LRPJGWNRKABGGE-LJQANCHMSA-N. The full InChI is InChI=1S/C22H20FNO4/c1-27-20-7-2-3-8-21(20)28-18-11-9-17(10-12-18)24-22(26)14-19(25)15-5-4-6-16(23)13-15/h2-13,19,25H,14H2,1H3,(H,24,26)/t19-/m1/s1.
What are the key properties of (3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide?
(3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide has a molecular weight of 381.40 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-fluorophenyl)-3-hydroxy-N-[4-(2-methoxyphenoxy)phenyl]propanamide is sourced from PubChem (CID 97064404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).