N-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide

C18H23ClFN3O2 — CID 72874541

IUPACN-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)N1CCCC2(CCN(C(=O)Nc3ccc(F)c(Cl)c3)C2)C1=O
InChIInChI=1S/C18H23ClFN3O2/c1-12(2)23-8-3-6-18(16(23)24)7-9-22(11-18)17(25)21-13-4-5-15(20)14(19)10-13/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,21,25)
InChIKeyOCJSWXCONUJLFS-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.73
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide

N-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 72874541) has the molecular formula C18H23ClFN3O2 and a molecular weight of 367.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
PubChem CID72874541
Molecular FormulaC18H23ClFN3O2
Molecular Weight367.85 g/mol
Exact Mass367.15
IUPAC NameN-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide
SMILESCC(C)N1CCCC2(CCN(C(=O)Nc3ccc(F)c(Cl)c3)C2)C1=O
InChIInChI=1S/C18H23ClFN3O2/c1-12(2)23-8-3-6-18(16(23)24)7-9-22(11-18)17(25)21-13-4-5-15(20)14(19)10-13/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,21,25)
InChIKeyOCJSWXCONUJLFS-UHFFFAOYSA-N
XLogP3.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-N-(3-chloro-4-methoxyphenyl)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxamide
CID 95215237
N-(3-chloro-4-fluorophenyl)piperidine-1-carboxamide
CID 108987923
N-(3-chloro-4-fluorophenyl)-3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 42109537
N-(3-chloro-4-fluorophenyl)-3,6-dimethylazocane-1-carboxamide
CID 144845950
2-(2-methyl-1H-pyrrole-3-carbonyl)-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 72847802
(3R)-N-(3-chloro-4-fluorophenyl)-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 140894275
2-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 46630970
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 95711738
N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]dec-3-ene-8-carboxamide
CID 20911603
1-[(4-chloro-3-fluorophenyl)carbamoyl]-4-methylpiperidine-4-carboxylic acid
CID 63124130
(2R)-2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-fluorophenyl)propanamide
CID 9276423
1-[(4-fluorophenyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982823

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide (CID 72874541) is N-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide is CC(C)N1CCCC2(CCN(C(=O)Nc3ccc(F)c(Cl)c3)C2)C1=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is OCJSWXCONUJLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClFN3O2/c1-12(2)23-8-3-6-18(16(23)24)7-9-22(11-18)17(25)21-13-4-5-15(20)14(19)10-13/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,21,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 367.85 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 72874541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).