1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide

C23H25ClN2O2 — CID 124725327

IUPAC1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide
SMILESCn1ccc2cc([C@H](O)CNC(=O)C3(c4ccc(Cl)cc4)CCCC3)ccc21
InChIInChI=1S/C23H25ClN2O2/c1-26-13-10-16-14-17(4-9-20(16)26)21(27)15-25-22(28)23(11-2-3-12-23)18-5-7-19(24)8-6-18/h4-10,13-14,21,27H,2-3,11-12,15H2,1H3,(H,25,28)/t21-/m1/s1
InChIKeyDQJXQWZNYKJNNZ-OAQYLSRUSA-N
MW396.92 g/mol
LogP4.49
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 124725327) has the molecular formula C23H25ClN2O2 and a molecular weight of 396.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID124725327
Molecular FormulaC23H25ClN2O2
Molecular Weight396.92 g/mol
Exact Mass396.16
IUPAC Name1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide
SMILESCn1ccc2cc([C@H](O)CNC(=O)C3(c4ccc(Cl)cc4)CCCC3)ccc21
InChIInChI=1S/C23H25ClN2O2/c1-26-13-10-16-14-17(4-9-20(16)26)21(27)15-25-22(28)23(11-2-3-12-23)18-5-7-19(24)8-6-18/h4-10,13-14,21,27H,2-3,11-12,15H2,1H3,(H,25,28)/t21-/m1/s1
InChIKeyDQJXQWZNYKJNNZ-OAQYLSRUSA-N
XLogP4.49
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide with MolForge

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Related Compounds

1-(4-fluorophenyl)-N-[(2R)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 124760857
N'-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 121179967
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-2,2-dimethylpropanamide
CID 124843514
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 110437937
2,6-difluoro-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 124843487
4-ethyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179729
5-bromo-2-chloro-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]benzamide
CID 121179831
N'-(3-chloro-4-fluorophenyl)-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 91817742
methyl 4-[[2-hydroxy-2-(1-methylindol-5-yl)ethyl]carbamoyl]benzoate
CID 91817661
N'-tert-butyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179966
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]acetamide
CID 124760949
N'-cycloheptyl-N-[2-hydroxy-2-(1-methylindol-5-yl)ethyl]oxamide
CID 121179980

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide (CID 124725327) is 1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide is Cn1ccc2cc([C@H](O)CNC(=O)C3(c4ccc(Cl)cc4)CCCC3)ccc21.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is DQJXQWZNYKJNNZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H25ClN2O2/c1-26-13-10-16-14-17(4-9-20(16)26)21(27)15-25-22(28)23(11-2-3-12-23)18-5-7-19(24)8-6-18/h4-10,13-14,21,27H,2-3,11-12,15H2,1H3,(H,25,28)/t21-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 396.92 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 124725327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).