N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide

C15H18Cl2N2O3 — CID 71801658

IUPACN-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H18Cl2N2O3/c16-12-2-1-11(9-13(12)17)18-14(20)19-5-8-22-15(10-19)3-6-21-7-4-15/h1-2,9H,3-8,10H2,(H,18,20)
InChIKeyPRPMIXUGKDVVSP-UHFFFAOYSA-N
MW345.23 g/mol
LogP3.41
Rot. Bonds1

About N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide

N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide (PubChem CID 71801658) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
PubChem CID71801658
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC NameN-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)N1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H18Cl2N2O3/c16-12-2-1-11(9-13(12)17)18-14(20)19-5-8-22-15(10-19)3-6-21-7-4-15/h1-2,9H,3-8,10H2,(H,18,20)
InChIKeyPRPMIXUGKDVVSP-UHFFFAOYSA-N
XLogP3.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-N-[3-(trifluoromethyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane-9-carboxamide
CID 99822435
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CID 134086769
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
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N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 91646674
N-(3,4-dichlorophenyl)morpholine-4-carbothioamide
CID 773259
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CID 1249136
N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456922
N-(3,4-dichlorophenyl)-2-hydroxy-2-(4-hydroxyoxan-4-yl)acetamide
CID 167903946
N-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
CID 97374273
2-chloro-4-(1,4-oxazepane-4-carbonylamino)benzoic acid
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CID 840585

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide (CID 71801658) is N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)N1CCOC2(CCOCC2)C1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide?
The InChIKey is PRPMIXUGKDVVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c16-12-2-1-11(9-13(12)17)18-14(20)19-5-8-22-15(10-19)3-6-21-7-4-15/h1-2,9H,3-8,10H2,(H,18,20).
What are the key properties of N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide?
N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide has a molecular weight of 345.23 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide is sourced from PubChem (CID 71801658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).