N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide

C19H14ClF4N3O5 — CID 2021966

IUPACN-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC
InChIInChI=1S/C19H14ClF4N3O5/c1-31-13-6-3-9(7-14(13)32-2)15(28)25-18(19(22,23)24)16(29)27(17(30)26-18)10-4-5-12(21)11(20)8-10/h3-8H,1-2H3,(H,25,28)(H,26,30)/t18-/m0/s1
InChIKeyRQCAMWDSJQDHJW-SFHVURJKSA-N
MW475.78 g/mol
LogP3.24
Rot. Bonds5

About N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide

N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide (PubChem CID 2021966) has the molecular formula C19H14ClF4N3O5 and a molecular weight of 475.78 g/mol. Its IUPAC name is N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
PubChem CID2021966
Molecular FormulaC19H14ClF4N3O5
Molecular Weight475.78 g/mol
Exact Mass475.06
IUPAC NameN-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC
InChIInChI=1S/C19H14ClF4N3O5/c1-31-13-6-3-9(7-14(13)32-2)15(28)25-18(19(22,23)24)16(29)27(17(30)26-18)10-4-5-12(21)11(20)8-10/h3-8H,1-2H3,(H,25,28)(H,26,30)/t18-/m0/s1
InChIKeyRQCAMWDSJQDHJW-SFHVURJKSA-N
XLogP3.24
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.78
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide 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

N-[(4S)-1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 92651760
N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide
CID 41062779
4-chloro-N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3748507
N-[(4S)-1-(3-chlorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-fluorobenzamide
CID 28947474
4-chloro-N-[(4S)-1-(4-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2041429
4-chloro-N-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 3785162
N-[(4S)-1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-4-methoxybenzamide
CID 41063050
4-chloro-N-[(4R)-2,5-dioxo-1-phenyl-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 42559353
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3-methoxybenzamide
CID 3664545
4-fluoro-N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 46500658
N-[1-(3,4-dimethylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-methoxybenzamide
CID 2968794
3,4-dimethoxy-N-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 2065636

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide (CID 2021966) is N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)N[C@]2(C(F)(F)F)NC(=O)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC.
What is the InChIKey of N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide?
The InChIKey is RQCAMWDSJQDHJW-SFHVURJKSA-N. The full InChI is InChI=1S/C19H14ClF4N3O5/c1-31-13-6-3-9(7-14(13)32-2)15(28)25-18(19(22,23)24)16(29)27(17(30)26-18)10-4-5-12(21)11(20)8-10/h3-8H,1-2H3,(H,25,28)(H,26,30)/t18-/m0/s1.
What are the key properties of N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide?
N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide has a molecular weight of 475.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-(3-chloro-4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 2021966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).