N-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide

C15H13ClF3N3O3 — CID 41062663

IUPACN-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
SMILESO=C(N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2Cl)C1=O)C1CC1
InChIInChI=1S/C15H13ClF3N3O3/c16-10-4-2-1-3-9(10)7-22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)8-5-6-8/h1-4,8H,5-7H2,(H,20,23)(H,21,25)/t14-/m0/s1
InChIKeyMWJHVFVBHPJTFI-AWEZNQCLSA-N
MW375.73 g/mol
LogP2.18
Rot. Bonds4

About N-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide

N-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide (PubChem CID 41062663) has the molecular formula C15H13ClF3N3O3 and a molecular weight of 375.73 g/mol. Its IUPAC name is N-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
PubChem CID41062663
Molecular FormulaC15H13ClF3N3O3
Molecular Weight375.73 g/mol
Exact Mass375.06
IUPAC NameN-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
SMILESO=C(N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2Cl)C1=O)C1CC1
InChIInChI=1S/C15H13ClF3N3O3/c16-10-4-2-1-3-9(10)7-22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)8-5-6-8/h1-4,8H,5-7H2,(H,20,23)(H,21,25)/t14-/m0/s1
InChIKeyMWJHVFVBHPJTFI-AWEZNQCLSA-N
XLogP2.18
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.73
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4R)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7632065
N-[1-(3-chloro-2-methylphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
CID 16764290
N-[(4R)-2,5-dioxo-1-[(1S)-1-phenylethyl]-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide
CID 2304227
2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7291568
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
(5R)-3-[(2-chlorophenyl)methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580419
8-[2-(2-chlorophenyl)acetyl]-3-[(2-chlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 83278758
N-[(4S)-1-benzyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
CID 7044627
N-[(4R)-1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]-2-phenylacetamide
CID 41062638
3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
CID 56824692
4-chloro-N-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7012719
(5S)-3-[(2-chlorophenyl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30479318

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide (CID 41062663) is N-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide is O=C(N[C@]1(C(F)(F)F)NC(=O)N(Cc2ccccc2Cl)C1=O)C1CC1.
What is the InChIKey of N-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
The InChIKey is MWJHVFVBHPJTFI-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13ClF3N3O3/c16-10-4-2-1-3-9(10)7-22-12(24)14(15(17,18)19,21-13(22)25)20-11(23)8-5-6-8/h1-4,8H,5-7H2,(H,20,23)(H,21,25)/t14-/m0/s1.
What are the key properties of N-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide?
N-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide has a molecular weight of 375.73 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-[(2-chlorophenyl)methyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 41062663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).