(1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide

C26H26FNO2 — CID 155818834

IUPAC(1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide
SMILESCOc1cccc([C@@H]2C[C@@H](c3cccc(C)c3)[C@@](F)(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C26H26FNO2/c1-18-8-6-10-20(14-18)24-16-21(19-9-7-13-23(15-19)30-2)17-26(24,27)25(29)28-22-11-4-3-5-12-22/h3-15,21,24H,16-17H2,1-2H3,(H,28,29)/t21-,24+,26-/m1/s1
InChIKeyBTAIHKOZZGMGJV-LJGDZFJRSA-N
MW403.50 g/mol
LogP6.01
Rot. Bonds5

About (1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide

(1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide (PubChem CID 155818834) has the molecular formula C26H26FNO2 and a molecular weight of 403.50 g/mol. Its IUPAC name is (1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide
PubChem CID155818834
Molecular FormulaC26H26FNO2
Molecular Weight403.50 g/mol
Exact Mass403.19
IUPAC Name(1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide
SMILESCOc1cccc([C@@H]2C[C@@H](c3cccc(C)c3)[C@@](F)(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C26H26FNO2/c1-18-8-6-10-20(14-18)24-16-21(19-9-7-13-23(15-19)30-2)17-26(24,27)25(29)28-22-11-4-3-5-12-22/h3-15,21,24H,16-17H2,1-2H3,(H,28,29)/t21-,24+,26-/m1/s1
InChIKeyBTAIHKOZZGMGJV-LJGDZFJRSA-N
XLogP6.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.50
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide?
The IUPAC name of (1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide (CID 155818834) is (1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for (1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide?
The canonical SMILES for (1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide is COc1cccc([C@@H]2C[C@@H](c3cccc(C)c3)[C@@](F)(C(=O)Nc3ccccc3)C2)c1.
What is the InChIKey of (1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide?
The InChIKey is BTAIHKOZZGMGJV-LJGDZFJRSA-N. The full InChI is InChI=1S/C26H26FNO2/c1-18-8-6-10-20(14-18)24-16-21(19-9-7-13-23(15-19)30-2)17-26(24,27)25(29)28-22-11-4-3-5-12-22/h3-15,21,24H,16-17H2,1-2H3,(H,28,29)/t21-,24+,26-/m1/s1.
What are the key properties of (1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide?
(1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide has a molecular weight of 403.50 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-1-fluoro-4-(3-methoxyphenyl)-2-(3-methylphenyl)-N-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 155818834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).