N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C17H18F3N3O3 — CID 90137143

IUPACN-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NCC1(C2CC2)NC(=O)NC1=O
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)12-4-1-10(2-5-12)3-8-13(24)21-9-16(11-6-7-11)14(25)22-15(26)23-16/h1-2,4-5,11H,3,6-9H2,(H,21,24)(H2,22,23,25,26)
InChIKeyLDDKAYGLGQWILO-UHFFFAOYSA-N
MW369.34 g/mol
LogP1.74
Rot. Bonds6

About N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 90137143) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID90137143
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC NameN-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NCC1(C2CC2)NC(=O)NC1=O
InChIInChI=1S/C17H18F3N3O3/c18-17(19,20)12-4-1-10(2-5-12)3-8-13(24)21-9-16(11-6-7-11)14(25)22-15(26)23-16/h1-2,4-5,11H,3,6-9H2,(H,21,24)(H2,22,23,25,26)
InChIKeyLDDKAYGLGQWILO-UHFFFAOYSA-N
XLogP1.74
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
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-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 90137143) is N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(C(F)(F)F)cc1)NCC1(C2CC2)NC(=O)NC1=O.
What is the InChIKey of N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is LDDKAYGLGQWILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c18-17(19,20)12-4-1-10(2-5-12)3-8-13(24)21-9-16(11-6-7-11)14(25)22-15(26)23-16/h1-2,4-5,11H,3,6-9H2,(H,21,24)(H2,22,23,25,26).
What are the key properties of N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 369.34 g/mol, XLogP of 1.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 90137143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).