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

C24H27Cl2NO2 — CID 110135260

IUPACN-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide
SMILESC[C@]1(NC(=O)C2CCCC2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C24H27Cl2NO2/c1-24(27-23(28)17-5-2-3-6-17)14-21(16-9-11-19(25)12-10-16)29-22(15-24)18-7-4-8-20(26)13-18/h4,7-13,17,21-22H,2-3,5-6,14-15H2,1H3,(H,27,28)/t21-,22+,24-/m0/s1
InChIKeyBBSFOOCKUGJZSL-ZDXQCDESSA-N
MW432.39 g/mol
LogP6.65
Rot. Bonds4

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

N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide (PubChem CID 110135260) has the molecular formula C24H27Cl2NO2 and a molecular weight of 432.39 g/mol. Its IUPAC name is N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide
PubChem CID110135260
Molecular FormulaC24H27Cl2NO2
Molecular Weight432.39 g/mol
Exact Mass431.14
IUPAC NameN-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide
SMILESC[C@]1(NC(=O)C2CCCC2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Cl)c2)C1
InChIInChI=1S/C24H27Cl2NO2/c1-24(27-23(28)17-5-2-3-6-17)14-21(16-9-11-19(25)12-10-16)29-22(15-24)18-7-4-8-20(26)13-18/h4,7-13,17,21-22H,2-3,5-6,14-15H2,1H3,(H,27,28)/t21-,22+,24-/m0/s1
InChIKeyBBSFOOCKUGJZSL-ZDXQCDESSA-N
XLogP6.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.39
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-(4-chloro-2-fluorophenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-yl]acetamide
CID 110122997
N-[(2R,4S,6S)-2-(4-chlorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide
CID 110135252
N-[(2S,4S,6R)-2-(4-chlorophenyl)-4-methyl-6-[3-(trifluoromethyl)phenyl]oxan-4-yl]-2-methylpropanamide
CID 110135255
N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-[4-(trifluoromethyl)phenyl]oxan-4-yl]-2-methylpropanamide
CID 110135256

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide (CID 110135260) is N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide is C[C@]1(NC(=O)C2CCCC2)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]cyclopentanecarboxamide?
The InChIKey is BBSFOOCKUGJZSL-ZDXQCDESSA-N. The full InChI is InChI=1S/C24H27Cl2NO2/c1-24(27-23(28)17-5-2-3-6-17)14-21(16-9-11-19(25)12-10-16)29-22(15-24)18-7-4-8-20(26)13-18/h4,7-13,17,21-22H,2-3,5-6,14-15H2,1H3,(H,27,28)/t21-,22+,24-/m0/s1.
What are the key properties of N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide?
N-[(2R,4S,6S)-2-(3-chlorophenyl)-6-(4-chlorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide has a molecular weight of 432.39 g/mol, XLogP of 6.65, 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]cyclopentanecarboxamide is sourced from PubChem (CID 110135260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).