N-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide

C18H20Cl2N2O3 — CID 154746153

IUPACN-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C18H20Cl2N2O3/c1-21(10-12-6-13(19)8-14(20)7-12)16(24)11-22-15(23)9-18(17(22)25)4-2-3-5-18/h6-8H,2-5,9-11H2,1H3
InChIKeyUNNFRQKGKHUPHZ-UHFFFAOYSA-N
MW383.28 g/mol
LogP3.27
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide

N-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide (PubChem CID 154746153) has the molecular formula C18H20Cl2N2O3 and a molecular weight of 383.28 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide
PubChem CID154746153
Molecular FormulaC18H20Cl2N2O3
Molecular Weight383.28 g/mol
Exact Mass382.09
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide
SMILESCN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C18H20Cl2N2O3/c1-21(10-12-6-13(19)8-14(20)7-12)16(24)11-22-15(23)9-18(17(22)25)4-2-3-5-18/h6-8H,2-5,9-11H2,1H3
InChIKeyUNNFRQKGKHUPHZ-UHFFFAOYSA-N
XLogP3.27
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-ethylacetamide
CID 20994914
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 17453320
2-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 17407870
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-propan-2-ylacetamide
CID 9378942
2-(3-amino-1,2,4-triazol-1-yl)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 61108177
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethanethioamide
CID 61127702
2-(cyclopropylmethylamino)-N-[(3,5-dichlorophenyl)methyl]-N-methylacetamide
CID 54872632
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methylacetamide
CID 47093751
4-chloro-N-[(3,5-dichlorophenyl)methyl]-N-methylbutanamide
CID 63307571
2-(2-naphthalen-2-yl-2-oxoethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 17411430
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571645
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 78727003

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide (CID 154746153) is N-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide is CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide?
The InChIKey is UNNFRQKGKHUPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3/c1-21(10-12-6-13(19)8-14(20)7-12)16(24)11-22-15(23)9-18(17(22)25)4-2-3-5-18/h6-8H,2-5,9-11H2,1H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide?
N-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide has a molecular weight of 383.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-methylacetamide is sourced from PubChem (CID 154746153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).