5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide

C25H30Cl2N2O3 — CID 162646008

IUPAC5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide
SMILESCC1(ON(c2ccc(NC(=O)c3cc(Cl)ccc3O)c(Cl)c2)C2(C)CCCC2)CCCC1
InChIInChI=1S/C25H30Cl2N2O3/c1-24(11-3-4-12-24)29(32-25(2)13-5-6-14-25)18-8-9-21(20(27)16-18)28-23(31)19-15-17(26)7-10-22(19)30/h7-10,15-16,30H,3-6,11-14H2,1-2H3,(H,28,31)
InChIKeyKWVBAFIFOFRYPT-UHFFFAOYSA-N
MW477.43 g/mol
LogP7.35
Rot. Bonds6

About 5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide

5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide (PubChem CID 162646008) has the molecular formula C25H30Cl2N2O3 and a molecular weight of 477.43 g/mol. Its IUPAC name is 5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide
PubChem CID162646008
Molecular FormulaC25H30Cl2N2O3
Molecular Weight477.43 g/mol
Exact Mass476.16
IUPAC Name5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide
SMILESCC1(ON(c2ccc(NC(=O)c3cc(Cl)ccc3O)c(Cl)c2)C2(C)CCCC2)CCCC1
InChIInChI=1S/C25H30Cl2N2O3/c1-24(11-3-4-12-24)29(32-25(2)13-5-6-14-25)18-8-9-21(20(27)16-18)28-23(31)19-15-17(26)7-10-22(19)30/h7-10,15-16,30H,3-6,11-14H2,1-2H3,(H,28,31)
InChIKeyKWVBAFIFOFRYPT-UHFFFAOYSA-N
XLogP7.35
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.43
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide (CID 162646008) is 5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide is CC1(ON(c2ccc(NC(=O)c3cc(Cl)ccc3O)c(Cl)c2)C2(C)CCCC2)CCCC1.
What is the InChIKey of 5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide?
The InChIKey is KWVBAFIFOFRYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N2O3/c1-24(11-3-4-12-24)29(32-25(2)13-5-6-14-25)18-8-9-21(20(27)16-18)28-23(31)19-15-17(26)7-10-22(19)30/h7-10,15-16,30H,3-6,11-14H2,1-2H3,(H,28,31).
What are the key properties of 5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide?
5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide has a molecular weight of 477.43 g/mol, XLogP of 7.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-chloro-4-[(1-methylcyclopentyl)-(1-methylcyclopentyl)oxyamino]phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 162646008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).