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

C16H22F3N3O3 — CID 42554329

IUPACN-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
SMILESO=C(N[C@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)C1CCCCC1
InChIInChI=1S/C16H22F3N3O3/c17-16(18,19)15(20-12(23)10-6-2-1-3-7-10)13(24)22(14(25)21-15)11-8-4-5-9-11/h10-11H,1-9H2,(H,20,23)(H,21,25)/t15-/m0/s1
InChIKeyOCBMYUXKRRFYPA-HNNXBMFYSA-N
MW361.36 g/mol
LogP2.44
Rot. Bonds3

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

N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide (PubChem CID 42554329) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
PubChem CID42554329
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC NameN-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide
SMILESO=C(N[C@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)C1CCCCC1
InChIInChI=1S/C16H22F3N3O3/c17-16(18,19)15(20-12(23)10-6-2-1-3-7-10)13(24)22(14(25)21-15)11-8-4-5-9-11/h10-11H,1-9H2,(H,20,23)(H,21,25)/t15-/m0/s1
InChIKeyOCBMYUXKRRFYPA-HNNXBMFYSA-N
XLogP2.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide (CID 42554329) is N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide is O=C(N[C@]1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)C1CCCCC1.
What is the InChIKey of N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide?
The InChIKey is OCBMYUXKRRFYPA-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H22F3N3O3/c17-16(18,19)15(20-12(23)10-6-2-1-3-7-10)13(24)22(14(25)21-15)11-8-4-5-9-11/h10-11H,1-9H2,(H,20,23)(H,21,25)/t15-/m0/s1.
What are the key properties of N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide?
N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide has a molecular weight of 361.36 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 42554329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).