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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Related Compounds

5-chloro-N-[2-chloro-4-(dimethylamino)phenyl]-2-hydroxybenzamide
CID 162658546
N-[4-[bis(3-hydroxypropyl)amino]-2-chlorophenyl]-5-chloro-2-hydroxybenzamide
CID 162676417
5-chloro-N-(2-chloro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-hydroxybenzamide
CID 71312570
2-aminoethanol;5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
CID 14992
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866
5-chloro-2-hydroxy-N-(2-methylphenyl)benzamide
CID 970572
5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603991
methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 28881765
5-chloro-N-(2-chloro-4-hydroxyphenyl)-2-methoxybenzamide
CID 64787348
5-chloro-N-(3,5-dichloro-4-methylphenyl)-2-hydroxybenzamide
CID 167679776
5-chloro-2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113939
2-amino-5-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967454

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).