N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide

C17H17F3N4O3 — CID 162696800

IUPACN-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
SMILESO=C1NC(=O)C(CNC(=O)N2Cc3ccc(C(F)(F)F)cc3C2)(C2CC2)N1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)12-2-1-9-6-24(7-10(9)5-12)15(27)21-8-16(11-3-4-11)13(25)22-14(26)23-16/h1-2,5,11H,3-4,6-8H2,(H,21,27)(H2,22,23,25,26)
InChIKeyKMLOXIZMFREQJN-UHFFFAOYSA-N
MW382.34 g/mol
LogP1.72
Rot. Bonds3

About N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide

N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide (PubChem CID 162696800) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
PubChem CID162696800
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC NameN-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
SMILESO=C1NC(=O)C(CNC(=O)N2Cc3ccc(C(F)(F)F)cc3C2)(C2CC2)N1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)12-2-1-9-6-24(7-10(9)5-12)15(27)21-8-16(11-3-4-11)13(25)22-14(26)23-16/h1-2,5,11H,3-4,6-8H2,(H,21,27)(H2,22,23,25,26)
InChIKeyKMLOXIZMFREQJN-UHFFFAOYSA-N
XLogP1.72
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide
CID 162514231
N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90137143
(5S)-5-cyclopropyl-5-[3-oxo-3-[7-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propyl]imidazolidine-2,4-dione
CID 156823176
N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 140682230
(5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
CID 156822921
N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1,5-dimethyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
CID 163908439
(5S)-5-ethenyl-5-[3-oxo-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
CID 156822915
(5S)-5-cyclopropyl-5-[3-oxo-3-[7-(trifluoromethyl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]propyl]imidazolidine-2,4-dione
CID 166935727
(2R)-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide
CID 118286104
N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide
CID 118286106
(4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one
CID 156823135
2-[[(4R)-4-cyclopropyl-2,5-dihydroxyimidazolidin-4-yl]methyl]-3-methyl-1-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]butan-1-one
CID 166705303

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
The IUPAC name of N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide (CID 162696800) is N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide.
What is the SMILES notation for N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
The canonical SMILES for N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide is O=C1NC(=O)C(CNC(=O)N2Cc3ccc(C(F)(F)F)cc3C2)(C2CC2)N1.
What is the InChIKey of N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
The InChIKey is KMLOXIZMFREQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c18-17(19,20)12-2-1-9-6-24(7-10(9)5-12)15(27)21-8-16(11-3-4-11)13(25)22-14(26)23-16/h1-2,5,11H,3-4,6-8H2,(H,21,27)(H2,22,23,25,26).
What are the key properties of N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide?
N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide has a molecular weight of 382.34 g/mol, XLogP of 1.72, 3 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]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide is sourced from PubChem (CID 162696800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).