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

C21H23Cl2NO2 — CID 110155080

IUPACN-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide
SMILESCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C21H23Cl2NO2/c1-3-20(25)24-21(2)12-18(14-7-9-16(22)10-8-14)26-19(13-21)15-5-4-6-17(23)11-15/h4-11,18-19H,3,12-13H2,1-2H3,(H,24,25)/t18-,19+,21-/m0/s1
InChIKeyZVKOMDLYXPXHTD-ZVDOUQERSA-N
MW392.33 g/mol
LogP5.87
Rot. Bonds4

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

N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide (PubChem CID 110155080) has the molecular formula C21H23Cl2NO2 and a molecular weight of 392.33 g/mol. Its IUPAC name is N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide.

Molecular Properties

Compound NameN-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide
PubChem CID110155080
Molecular FormulaC21H23Cl2NO2
Molecular Weight392.33 g/mol
Exact Mass391.11
IUPAC NameN-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide
SMILESCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C21H23Cl2NO2/c1-3-20(25)24-21(2)12-18(14-7-9-16(22)10-8-14)26-19(13-21)15-5-4-6-17(23)11-15/h4-11,18-19H,3,12-13H2,1-2H3,(H,24,25)/t18-,19+,21-/m0/s1
InChIKeyZVKOMDLYXPXHTD-ZVDOUQERSA-N
XLogP5.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.33
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide 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-tert-butyl-2-(3,4-dichlorophenyl)-4-ethenyl-2,5-dihydrofuran-3-carboxamide
CID 57328633
N-[(2S*,4R*,6S*)-2-benzyl-6-(4-chlorophenyl)tetrahydro-2H-pyran-4-yl]acetamide
CID 50950810
N-[(2R*,4S*,6R*)-2-(4-chlorophenyl)-6-isobutyltetrahydro-2H-pyran-4-yl]acetamide
CID 133138062
N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide
CID 110076159
N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-[4-(trifluoromethyl)phenyl]oxan-4-yl]-2-phenylacetamide
CID 110076160
N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)acetamide
CID 110076234
N-[(2S,6R)-2,6-bis(4-chlorophenyl)-4-methyloxan-4-yl]-2-(4-fluorophenyl)acetamide
CID 110076235
N-[(2R,4R,4aS,7R,8aR)-2-(3-chloro-4-fluorophenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-yl]acetamide
CID 110122956
N-[(2R,4R,4aS,7R,8aR)-2-(3-chloro-4-fluorophenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-yl]-3-methoxypropanamide
CID 110122957
N-[(2R,4R,4aS,7R,8aR)-2-(4-chloro-2-fluorophenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-yl]acetamide
CID 110122997
N-[(2R,4R,4aS,7R,8aR)-2-(4-chloro-2-fluorophenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-yl]-3-methoxypropanamide
CID 110122998
N-[(2R,4R,4aS,8aR)-2-(4-chloro-2-fluorophenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide
CID 110134001

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide?
The IUPAC name of N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide (CID 110155080) is N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide.
What is the SMILES notation for N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide?
The canonical SMILES for N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide is CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Cl)c2)C1.
What is the InChIKey of N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide?
The InChIKey is ZVKOMDLYXPXHTD-ZVDOUQERSA-N. The full InChI is InChI=1S/C21H23Cl2NO2/c1-3-20(25)24-21(2)12-18(14-7-9-16(22)10-8-14)26-19(13-21)15-5-4-6-17(23)11-15/h4-11,18-19H,3,12-13H2,1-2H3,(H,24,25)/t18-,19+,21-/m0/s1.
What are the key properties of N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide?
N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide has a molecular weight of 392.33 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]propanamide is sourced from PubChem (CID 110155080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).