N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide

C12H16F3N3O3 — CID 3692535

IUPACN-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C12H16F3N3O3/c1-7(19)16-11(12(13,14)15)9(20)18(10(21)17-11)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,16,19)(H,17,21)
InChIKeyKRWDPDYAGUBTTN-UHFFFAOYSA-N
MW307.27 g/mol
LogP1.27
Rot. Bonds2

About N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide

N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide (PubChem CID 3692535) has the molecular formula C12H16F3N3O3 and a molecular weight of 307.27 g/mol. Its IUPAC name is N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
PubChem CID3692535
Molecular FormulaC12H16F3N3O3
Molecular Weight307.27 g/mol
Exact Mass307.11
IUPAC NameN-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide
SMILESCC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O
InChIInChI=1S/C12H16F3N3O3/c1-7(19)16-11(12(13,14)15)9(20)18(10(21)17-11)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,16,19)(H,17,21)
InChIKeyKRWDPDYAGUBTTN-UHFFFAOYSA-N
XLogP1.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 51.27
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

CID 2969407
CID 2969407
CID 4917364
CID 4917364
CID 12435815
CID 12435815
CID 2954390
CID 2954390
CID 2965077
CID 2965077
CID 2968525
CID 2968525
CID 2109987
CID 2109987
CID 2968907
CID 2968907
CID 1521461
CID 1521461
CID 24982466
CID 24982466
CID 2962152
CID 2962152
CID 5273849
CID 5273849

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
The IUPAC name of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide (CID 3692535) is N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide.
What is the SMILES notation for N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
The canonical SMILES for N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide is CC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O.
What is the InChIKey of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
The InChIKey is KRWDPDYAGUBTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O3/c1-7(19)16-11(12(13,14)15)9(20)18(10(21)17-11)8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H,16,19)(H,17,21).
What are the key properties of N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide?
N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide has a molecular weight of 307.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]acetamide is sourced from PubChem (CID 3692535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).