N-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C17H17Cl2NO3 — CID 20861394

IUPACN-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2cc(Cl)cc(Cl)c2)C2(CCCCC2)OC1=O
InChIInChI=1S/C17H17Cl2NO3/c1-10-14(17(23-16(10)22)5-3-2-4-6-17)15(21)20-13-8-11(18)7-12(19)9-13/h7-9H,2-6H2,1H3,(H,20,21)
InChIKeyKMBGSQBAJLDOGE-UHFFFAOYSA-N
MW354.23 g/mol
LogP4.51
Rot. Bonds2

About N-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

N-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 20861394) has the molecular formula C17H17Cl2NO3 and a molecular weight of 354.23 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID20861394
Molecular FormulaC17H17Cl2NO3
Molecular Weight354.23 g/mol
Exact Mass353.06
IUPAC NameN-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
SMILESCC1=C(C(=O)Nc2cc(Cl)cc(Cl)c2)C2(CCCCC2)OC1=O
InChIInChI=1S/C17H17Cl2NO3/c1-10-14(17(23-16(10)22)5-3-2-4-6-17)15(21)20-13-8-11(18)7-12(19)9-13/h7-9H,2-6H2,1H3,(H,20,21)
InChIKeyKMBGSQBAJLDOGE-UHFFFAOYSA-N
XLogP4.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.23
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
CID 46276222
8-acetyl-N-(3-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50757794
N-(4-chloro-2-methoxy-5-methylphenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861443
N-[(3-chlorophenyl)methyl]-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
CID 20861378
N-(2-bromo-4,6-difluorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
CID 46276223
N-(3-chloro-4-methylphenyl)-3-methyl-2-oxo-8-propan-2-yl-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50789888
8-benzyl-N-(4-chlorophenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50757920
8-benzyl-N-(3,5-dimethylphenyl)-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 46275263
3-methyl-2-oxo-N-(thiophen-2-ylmethyl)-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
CID 20910721
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-3-methyl-1-oxaspiro[4.5]dec-3-en-2-one
CID 10715343
3-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-1-oxaspiro[4.6]undec-3-ene-4-carboxamide
CID 20910725
N-(3,4-dimethylphenyl)-8-ethylsulfonyl-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
CID 50789870

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide (CID 20861394) is N-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is CC1=C(C(=O)Nc2cc(Cl)cc(Cl)c2)C2(CCCCC2)OC1=O.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
The InChIKey is KMBGSQBAJLDOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3/c1-10-14(17(23-16(10)22)5-3-2-4-6-17)15(21)20-13-8-11(18)7-12(19)9-13/h7-9H,2-6H2,1H3,(H,20,21).
What are the key properties of N-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide?
N-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 354.23 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 20861394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).