5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide

C18H17ClF3NO3 — CID 163942617

IUPAC5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide
SMILESCOC(CC(=O)NO)C(Cc1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C18H17ClF3NO3/c1-26-16(9-17(24)23-25)13(6-10-2-4-12(19)5-3-10)11-7-14(20)18(22)15(21)8-11/h2-5,7-8,13,16,25H,6,9H2,1H3,(H,23,24)
InChIKeyRSIFUVAUUCSYGB-UHFFFAOYSA-N
MW387.79 g/mol
LogP3.99
Rot. Bonds7

About 5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide

5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide (PubChem CID 163942617) has the molecular formula C18H17ClF3NO3 and a molecular weight of 387.79 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide
PubChem CID163942617
Molecular FormulaC18H17ClF3NO3
Molecular Weight387.79 g/mol
Exact Mass387.08
IUPAC Name5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide
SMILESCOC(CC(=O)NO)C(Cc1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C18H17ClF3NO3/c1-26-16(9-17(24)23-25)13(6-10-2-4-12(19)5-3-10)11-7-14(20)18(22)15(21)8-11/h2-5,7-8,13,16,25H,6,9H2,1H3,(H,23,24)
InChIKeyRSIFUVAUUCSYGB-UHFFFAOYSA-N
XLogP3.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide?
The IUPAC name of 5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide (CID 163942617) is 5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide is COC(CC(=O)NO)C(Cc1ccc(Cl)cc1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide?
The InChIKey is RSIFUVAUUCSYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO3/c1-26-16(9-17(24)23-25)13(6-10-2-4-12(19)5-3-10)11-7-14(20)18(22)15(21)8-11/h2-5,7-8,13,16,25H,6,9H2,1H3,(H,23,24).
What are the key properties of 5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide?
5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide has a molecular weight of 387.79 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-hydroxy-3-methoxy-4-(3,4,5-trifluorophenyl)pentanamide is sourced from PubChem (CID 163942617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).