1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide

C21H22ClN3O4 — CID 10273346

IUPAC1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide
SMILESO=C(NO)C1NC(=O)N(Cc2ccc(Oc3ccc(Cl)cc3)cc2)C12CCCC2
InChIInChI=1S/C21H22ClN3O4/c22-15-5-9-17(10-6-15)29-16-7-3-14(4-8-16)13-25-20(27)23-18(19(26)24-28)21(25)11-1-2-12-21/h3-10,18,28H,1-2,11-13H2,(H,23,27)(H,24,26)
InChIKeySXVFHNCZQNSYRT-UHFFFAOYSA-N
MW415.88 g/mol
LogP3.84
Rot. Bonds5

About 1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide

1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide (PubChem CID 10273346) has the molecular formula C21H22ClN3O4 and a molecular weight of 415.88 g/mol. Its IUPAC name is 1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound Name1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide
PubChem CID10273346
Molecular FormulaC21H22ClN3O4
Molecular Weight415.88 g/mol
Exact Mass415.13
IUPAC Name1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide
SMILESO=C(NO)C1NC(=O)N(Cc2ccc(Oc3ccc(Cl)cc3)cc2)C12CCCC2
InChIInChI=1S/C21H22ClN3O4/c22-15-5-9-17(10-6-15)29-16-7-3-14(4-8-16)13-25-20(27)23-18(19(26)24-28)21(25)11-1-2-12-21/h3-10,18,28H,1-2,11-13H2,(H,23,27)(H,24,26)
InChIKeySXVFHNCZQNSYRT-UHFFFAOYSA-N
XLogP3.84
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of 1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide (CID 10273346) is 1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for 1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for 1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide is O=C(NO)C1NC(=O)N(Cc2ccc(Oc3ccc(Cl)cc3)cc2)C12CCCC2.
What is the InChIKey of 1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide?
The InChIKey is SXVFHNCZQNSYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4/c22-15-5-9-17(10-6-15)29-16-7-3-14(4-8-16)13-25-20(27)23-18(19(26)24-28)21(25)11-1-2-12-21/h3-10,18,28H,1-2,11-13H2,(H,23,27)(H,24,26).
What are the key properties of 1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide?
1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide has a molecular weight of 415.88 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-chlorophenoxy)phenyl]methyl]-N-hydroxy-2-oxo-1,3-diazaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 10273346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).