N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

C24H28ClFN2O3 — CID 56683608

IUPACN-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESO=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C24H28ClFN2O3/c25-19-8-4-17(5-9-19)16-21(22(30)27-14-3-15-29)28-23(31)24(12-1-2-13-24)18-6-10-20(26)11-7-18/h4-11,21,29H,1-3,12-16H2,(H,27,30)(H,28,31)/t21-/m1/s1
InChIKeyBFOCNLAHZCLTJK-OAQYLSRUSA-N
MW446.95 g/mol
LogP3.52
Rot. Bonds9

About N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 56683608) has the molecular formula C24H28ClFN2O3 and a molecular weight of 446.95 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID56683608
Molecular FormulaC24H28ClFN2O3
Molecular Weight446.95 g/mol
Exact Mass446.18
IUPAC NameN-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESO=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C24H28ClFN2O3/c25-19-8-4-17(5-9-19)16-21(22(30)27-14-3-15-29)28-23(31)24(12-1-2-13-24)18-6-10-20(26)11-7-18/h4-11,21,29H,1-3,12-16H2,(H,27,30)(H,28,31)/t21-/m1/s1
InChIKeyBFOCNLAHZCLTJK-OAQYLSRUSA-N
XLogP3.52
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.95
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (CID 56683608) is N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is O=C(NCCCO)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is BFOCNLAHZCLTJK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28ClFN2O3/c25-19-8-4-17(5-9-19)16-21(22(30)27-14-3-15-29)28-23(31)24(12-1-2-13-24)18-6-10-20(26)11-7-18/h4-11,21,29H,1-3,12-16H2,(H,27,30)(H,28,31)/t21-/m1/s1.
What are the key properties of N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 446.95 g/mol, XLogP of 3.52, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(4-chlorophenyl)-1-(3-hydroxypropylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 56683608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).