N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

C19H22ClN3O5 — CID 7800623

IUPACN-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1C(=O)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O
InChIInChI=1S/C19H22ClN3O5/c1-11-5-3-4-6-14(11)23-18(26)17(25)22(19(23)27)10-16(24)21-13-9-12(20)7-8-15(13)28-2/h7-9,11,14H,3-6,10H2,1-2H3,(H,21,24)/t11-,14+/m0/s1
InChIKeyIPBMRKSZMBZDNZ-SMDDNHRTSA-N
MW407.85 g/mol
LogP2.66
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (PubChem CID 7800623) has the molecular formula C19H22ClN3O5 and a molecular weight of 407.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
PubChem CID7800623
Molecular FormulaC19H22ClN3O5
Molecular Weight407.85 g/mol
Exact Mass407.12
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN1C(=O)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O
InChIInChI=1S/C19H22ClN3O5/c1-11-5-3-4-6-14(11)23-18(26)17(25)22(19(23)27)10-16(24)21-13-9-12(20)7-8-15(13)28-2/h7-9,11,14H,3-6,10H2,1-2H3,(H,21,24)/t11-,14+/m0/s1
InChIKeyIPBMRKSZMBZDNZ-SMDDNHRTSA-N
XLogP2.66
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-fluorophenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799669
N-(5-chloro-2-methylphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800369
N-(2,5-difluorophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7799757
N-(2-chloro-4-fluorophenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800427
N-(2,4-dimethylphenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800530
N-(3,4-dichlorophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800329
N-(2,4-dimethylphenyl)-2-[3-[(1S,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800531
2-[3-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4,5-trioxoimidazolidin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 98600066
N-(5-chloro-2-methoxyphenyl)-2-(2,4,5-trioxo-3-prop-2-enylimidazolidin-1-yl)acetamide
CID 51139615
N-(2-fluoro-5-nitrophenyl)-2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800674
1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 8607614
N-(4-acetamidophenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800665

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide (CID 7800623) is N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is COc1ccc(Cl)cc1NC(=O)CN1C(=O)C(=O)N([C@@H]2CCCC[C@@H]2C)C1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
The InChIKey is IPBMRKSZMBZDNZ-SMDDNHRTSA-N. The full InChI is InChI=1S/C19H22ClN3O5/c1-11-5-3-4-6-14(11)23-18(26)17(25)22(19(23)27)10-16(24)21-13-9-12(20)7-8-15(13)28-2/h7-9,11,14H,3-6,10H2,1-2H3,(H,21,24)/t11-,14+/m0/s1.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide has a molecular weight of 407.85 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 7800623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).