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

C21H23Cl2NO2 — CID 110155144

IUPACN-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide
SMILESCCC(=O)NC1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C21H23Cl2NO2/c1-3-20(25)24-21(2)12-18(14-6-4-8-16(22)10-14)26-19(13-21)15-7-5-9-17(23)11-15/h4-11,18-19H,3,12-13H2,1-2H3,(H,24,25)/t18-,19+,21?
InChIKeyDCGDWULHKOCRFA-PMSBKCLSSA-N
MW392.33 g/mol
LogP5.87
Rot. Bonds4

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

N-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide (PubChem CID 110155144) has the molecular formula C21H23Cl2NO2 and a molecular weight of 392.33 g/mol. Its IUPAC name is N-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide.

Molecular Properties

Compound NameN-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide
PubChem CID110155144
Molecular FormulaC21H23Cl2NO2
Molecular Weight392.33 g/mol
Exact Mass391.11
IUPAC NameN-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide
SMILESCCC(=O)NC1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C21H23Cl2NO2/c1-3-20(25)24-21(2)12-18(14-6-4-8-16(22)10-14)26-19(13-21)15-7-5-9-17(23)11-15/h4-11,18-19H,3,12-13H2,1-2H3,(H,24,25)/t18-,19+,21?
InChIKeyDCGDWULHKOCRFA-PMSBKCLSSA-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

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Related Compounds

N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-2-phenylacetamide
CID 129453811
N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3,4-difluorophenyl)-4-methyloxan-4-yl]propanamide
CID 110155085
N-[(2R,4R,6S)-2-(3-bromophenyl)-6-(3-chlorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155228
N-[(2R,4S,6S)-2-(4-chloro-2-fluorophenyl)-6-(3-chlorophenyl)-4-methyloxan-4-yl]acetamide
CID 110155138
N-[(2R,4S,6S)-2-(4-chloro-2-fluorophenyl)-6-(3-chlorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155166
N-[(2S,4S,6R)-2-(3-chlorophenyl)-6-(2,4-difluorophenyl)-4-methyloxan-4-yl]-3-methoxypropanamide
CID 110155160
2-(4-chlorophenyl)-N-[(2S,4S,6R)-2-(4-chlorophenyl)-6-(3-fluorophenyl)-4-methyloxan-4-yl]acetamide
CID 129459192
N-[(2S,4S,6R)-2-(3-chlorophenyl)-6-(2,4-difluorophenyl)-4-methyloxan-4-yl]-2-methylpropanamide
CID 110155150
N-[(2R,4R,6S)-2-(3-bromophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]-3-hydroxypropanamide
CID 110155212
2-[2-[(2R,4S,6S)-4-acetamido-6-(3-chlorophenyl)-4-methyloxan-2-yl]-4-ethylphenoxy]acetic acid
CID 110166321
2-[4-chloro-2-[(2R,4S,6S)-6-(3-chlorophenyl)-4-(3-hydroxypropanoylamino)-4-methyloxan-2-yl]-5-methylphenoxy]acetic acid
CID 155988368
N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-[4-(2-oxopyrrolidin-1-yl)phenyl]oxan-4-yl]propanamide
CID 110155093

Frequently Asked Questions

What is the IUPAC name of N-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide?
The IUPAC name of N-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide (CID 110155144) is N-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide.
What is the SMILES notation for N-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide?
The canonical SMILES for N-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide is CCC(=O)NC1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cccc(Cl)c2)C1.
What is the InChIKey of N-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide?
The InChIKey is DCGDWULHKOCRFA-PMSBKCLSSA-N. The full InChI is InChI=1S/C21H23Cl2NO2/c1-3-20(25)24-21(2)12-18(14-6-4-8-16(22)10-14)26-19(13-21)15-7-5-9-17(23)11-15/h4-11,18-19H,3,12-13H2,1-2H3,(H,24,25)/t18-,19+,21?.
What are the key properties of N-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide?
N-[(2S,6R)-2,6-bis(3-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-[(2S,6R)-2,6-bis(3-chlorophenyl)-4-methyloxan-4-yl]propanamide is sourced from PubChem (CID 110155144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).