N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide

C24H28ClNO2 — CID 110135258

IUPACN-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide
SMILESC[C@]1(NC(=O)C2CCCC2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C24H28ClNO2/c1-24(26-23(27)19-9-5-6-10-19)15-21(17-7-3-2-4-8-17)28-22(16-24)18-11-13-20(25)14-12-18/h2-4,7-8,11-14,19,21-22H,5-6,9-10,15-16H2,1H3,(H,26,27)/t21-,22+,24-/m1/s1
InChIKeyALOCTZGZWGCSOT-AOHZBQACSA-N
MW397.95 g/mol
LogP6.00
Rot. Bonds4

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

N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide (PubChem CID 110135258) has the molecular formula C24H28ClNO2 and a molecular weight of 397.95 g/mol. Its IUPAC name is N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide
PubChem CID110135258
Molecular FormulaC24H28ClNO2
Molecular Weight397.95 g/mol
Exact Mass397.18
IUPAC NameN-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide
SMILESC[C@]1(NC(=O)C2CCCC2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccccc2)C1
InChIInChI=1S/C24H28ClNO2/c1-24(26-23(27)19-9-5-6-10-19)15-21(17-7-3-2-4-8-17)28-22(16-24)18-11-13-20(25)14-12-18/h2-4,7-8,11-14,19,21-22H,5-6,9-10,15-16H2,1H3,(H,26,27)/t21-,22+,24-/m1/s1
InChIKeyALOCTZGZWGCSOT-AOHZBQACSA-N
XLogP6.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.95
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide 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*,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-(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,7aR)-2-(4-chloro-3-fluorophenyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]-2-methylpropanamide
CID 110133877
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
N-[(2R,4R,4aS,8aR)-2-(4-chloro-3-fluorophenyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-4-yl]acetamide
CID 110134004
N-[(2R,4S,6S)-2-(4-chlorophenyl)-6-(4-fluorophenyl)-4-methyloxan-4-yl]cyclopentanecarboxamide
CID 110135252

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide (CID 110135258) is N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide is C[C@]1(NC(=O)C2CCCC2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccccc2)C1.
What is the InChIKey of N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide?
The InChIKey is ALOCTZGZWGCSOT-AOHZBQACSA-N. The full InChI is InChI=1S/C24H28ClNO2/c1-24(26-23(27)19-9-5-6-10-19)15-21(17-7-3-2-4-8-17)28-22(16-24)18-11-13-20(25)14-12-18/h2-4,7-8,11-14,19,21-22H,5-6,9-10,15-16H2,1H3,(H,26,27)/t21-,22+,24-/m1/s1.
What are the key properties of N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide?
N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide has a molecular weight of 397.95 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4R,6R)-2-(4-chlorophenyl)-4-methyl-6-phenyloxan-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 110135258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).