N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide

C20H24F3N3O5 — CID 2002483

IUPACN-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(C3CCCCCC3)C2=O)c(OC)c1
InChIInChI=1S/C20H24F3N3O5/c1-30-13-9-10-14(15(11-13)31-2)16(27)24-19(20(21,22)23)17(28)26(18(29)25-19)12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3,(H,24,27)(H,25,29)/t19-/m0/s1
InChIKeyZLOUTLITQNLZHB-IBGZPJMESA-N
MW443.42 g/mol
LogP2.97
Rot. Bonds5

About N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide

N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide (PubChem CID 2002483) has the molecular formula C20H24F3N3O5 and a molecular weight of 443.42 g/mol. Its IUPAC name is N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide
PubChem CID2002483
Molecular FormulaC20H24F3N3O5
Molecular Weight443.42 g/mol
Exact Mass443.17
IUPAC NameN-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(C3CCCCCC3)C2=O)c(OC)c1
InChIInChI=1S/C20H24F3N3O5/c1-30-13-9-10-14(15(11-13)31-2)16(27)24-19(20(21,22)23)17(28)26(18(29)25-19)12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3,(H,24,27)(H,25,29)/t19-/m0/s1
InChIKeyZLOUTLITQNLZHB-IBGZPJMESA-N
XLogP2.97
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(cyclohexylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,3,4-trimethoxybenzamide
CID 3294101
N-[(3R)-4-acetyl-1-cyclohexyl-5-methyl-2-oxo-3-(trifluoromethyl)pyrrol-3-yl]-2-methoxybenzamide
CID 2712170
N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
CID 2968794
CID 159051946
CID 159051946
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
ethyl 1-cyclohexyl-4-[(2-methoxybenzoyl)amino]-2-methyl-5-oxo-4-(trifluoromethyl)pyrrole-3-carboxylate
CID 4035631
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
CID 41063050
3,4-dimethoxy-N-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2065636
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133
N-[(4S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
CID 40936967
3-methoxy-N-[1-[(4-methoxyphenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3815407
N-(4,4-difluorocyclohexyl)-2,4-dimethoxybenzamide
CID 119104693

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide (CID 2002483) is N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(C3CCCCCC3)C2=O)c(OC)c1.
What is the InChIKey of N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide?
The InChIKey is ZLOUTLITQNLZHB-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24F3N3O5/c1-30-13-9-10-14(15(11-13)31-2)16(27)24-19(20(21,22)23)17(28)26(18(29)25-19)12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3,(H,24,27)(H,25,29)/t19-/m0/s1.
What are the key properties of N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide?
N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide has a molecular weight of 443.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-cycloheptyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 2002483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).