N-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide

C13H15ClN2O2 — CID 97374273

IUPACN-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC2(CCCO2)C1
InChIInChI=1S/C13H15ClN2O2/c14-10-2-4-11(5-3-10)15-12(17)16-8-13(9-16)6-1-7-18-13/h2-5H,1,6-9H2,(H,15,17)
InChIKeyYASSRJNEFMRBBX-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.74
Rot. Bonds1

About N-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide

N-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide (PubChem CID 97374273) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
PubChem CID97374273
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC NameN-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CC2(CCCO2)C1
InChIInChI=1S/C13H15ClN2O2/c14-10-2-4-11(5-3-10)15-12(17)16-8-13(9-16)6-1-7-18-13/h2-5H,1,6-9H2,(H,15,17)
InChIKeyYASSRJNEFMRBBX-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-1,3-oxazolidine-3-carboxamide
CID 110749558
(3aS,6aR)-2-[(4-chlorophenyl)carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122073559
(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
N-(3,4-dichlorophenyl)-1,9-dioxa-4-azaspiro[5.5]undecane-4-carboxamide
CID 71801658
(5R)-9-N-(4-chlorophenyl)-3-N-(4-methoxyphenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97396034
(5S)-9-N-(4-chlorophenyl)-3-N-[(4-methylphenyl)methyl]-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-3,9-dicarboxamide
CID 97396115
1-N-(4-chlorophenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53117346
(3R)-1-N-(4-chlorophenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087961
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
N-[3-(aminomethyl)phenyl]-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 74236074
N-[3-(cyclopropanecarbonylamino)phenyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 91646674
N-(4-chlorophenyl)-4-(2,2-difluoroacetyl)-1,4-diazepane-1-carboxamide
CID 99841434

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide (CID 97374273) is N-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CC2(CCCO2)C1.
What is the InChIKey of N-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide?
The InChIKey is YASSRJNEFMRBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c14-10-2-4-11(5-3-10)15-12(17)16-8-13(9-16)6-1-7-18-13/h2-5H,1,6-9H2,(H,15,17).
What are the key properties of N-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide?
N-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide has a molecular weight of 266.73 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-oxa-2-azaspiro[3.4]octane-2-carboxamide is sourced from PubChem (CID 97374273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).