N-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide

C22H25ClFNO4 — CID 155984629

IUPACN-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide
SMILESCOc1ccc([C@H]2C[C@](C)(NC(=O)CCO)C[C@@H](c3cccc(Cl)c3)O2)c(F)c1
InChIInChI=1S/C22H25ClFNO4/c1-22(25-21(27)8-9-26)12-19(14-4-3-5-15(23)10-14)29-20(13-22)17-7-6-16(28-2)11-18(17)24/h3-7,10-11,19-20,26H,8-9,12-13H2,1-2H3,(H,25,27)/t19-,20+,22+/m0/s1
InChIKeyLXGDDECDNVYHIE-TUNNFDKTSA-N
MW421.90 g/mol
LogP4.34
Rot. Bonds6

About N-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide

N-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide (PubChem CID 155984629) has the molecular formula C22H25ClFNO4 and a molecular weight of 421.90 g/mol. Its IUPAC name is N-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide
PubChem CID155984629
Molecular FormulaC22H25ClFNO4
Molecular Weight421.90 g/mol
Exact Mass421.15
IUPAC NameN-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide
SMILESCOc1ccc([C@H]2C[C@](C)(NC(=O)CCO)C[C@@H](c3cccc(Cl)c3)O2)c(F)c1
InChIInChI=1S/C22H25ClFNO4/c1-22(25-21(27)8-9-26)12-19(14-4-3-5-15(23)10-14)29-20(13-22)17-7-6-16(28-2)11-18(17)24/h3-7,10-11,19-20,26H,8-9,12-13H2,1-2H3,(H,25,27)/t19-,20+,22+/m0/s1
InChIKeyLXGDDECDNVYHIE-TUNNFDKTSA-N
XLogP4.34
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.90
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S*,4R*,6R*)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 133115603
3-(4-chlorophenoxy)-N-[(1R,2R,4E)-4-(3-fluorocyclopentylidene)-1-(4-hexoxyphenyl)-1-hydroxybutan-2-yl]propanamide
CID 153656658
N-[(2S,4R,6R)-2-(3-chloro-4-hydroxyphenyl)-6-(3,5-difluorophenyl)oxan-4-yl]acetamide
CID 50961867
N-[(2S,4S,6R)-2-(4-fluorophenyl)-4-methyl-6-(4-phenoxyphenyl)oxan-4-yl]-3-hydroxypropanamide
CID 110076547
N-[(2R,4S,6S)-2-(2-fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]propanamide
CID 110155019
N-[(2R,4S,6S)-2-(2-Fluoro-4-methoxyphenyl)-6-(4-fluorophenyl)-4-methyloxan-4-YL]-2-methylpropanamide
CID 110155030
N-[(2R,4S,6S)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide
CID 110155039
N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155047
N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(4-fluoro-3-methoxyphenyl)-4-methyloxan-4-yl]acetamide
CID 110155069
N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(4-fluoro-3-methoxyphenyl)-4-methyloxan-4-yl]propanamide
CID 110155086
N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(4-fluoro-3-methoxyphenyl)-4-methyloxan-4-yl]-2-methylpropanamide
CID 110155100
N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(2-fluoro-3-methoxyphenyl)-4-methyloxan-4-yl]-2-methylpropanamide
CID 110155101

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide?
The IUPAC name of N-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide (CID 155984629) is N-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide.
What is the SMILES notation for N-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide?
The canonical SMILES for N-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide is COc1ccc([C@H]2C[C@](C)(NC(=O)CCO)C[C@@H](c3cccc(Cl)c3)O2)c(F)c1.
What is the InChIKey of N-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide?
The InChIKey is LXGDDECDNVYHIE-TUNNFDKTSA-N. The full InChI is InChI=1S/C22H25ClFNO4/c1-22(25-21(27)8-9-26)12-19(14-4-3-5-15(23)10-14)29-20(13-22)17-7-6-16(28-2)11-18(17)24/h3-7,10-11,19-20,26H,8-9,12-13H2,1-2H3,(H,25,27)/t19-,20+,22+/m0/s1.
What are the key properties of N-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide?
N-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide has a molecular weight of 421.90 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6R)-2-(3-chlorophenyl)-6-(2-fluoro-4-methoxyphenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide is sourced from PubChem (CID 155984629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).