N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide

C17H17F3N4O3 — CID 162514231

IUPACN-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide
SMILESO=CN(C[C@@]1(C2CC2)NC(=O)NC1=O)N1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)13-2-1-10-6-23(7-11(10)5-13)24(9-25)8-16(12-3-4-12)14(26)21-15(27)22-16/h1-2,5,9,12H,3-4,6-8H2,(H2,21,22,26,27)/t16-/m0/s1
InChIKeyYDUZWSDMOQEMKU-INIZCTEOSA-N
MW382.34 g/mol
LogP1.38
Rot. Bonds5

About N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide

N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide (PubChem CID 162514231) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide.

Molecular Properties

Compound NameN-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide
PubChem CID162514231
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC NameN-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide
SMILESO=CN(C[C@@]1(C2CC2)NC(=O)NC1=O)N1Cc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C17H17F3N4O3/c18-17(19,20)13-2-1-10-6-23(7-11(10)5-13)24(9-25)8-16(12-3-4-12)14(26)21-15(27)22-16/h1-2,5,9,12H,3-4,6-8H2,(H2,21,22,26,27)/t16-/m0/s1
InChIKeyYDUZWSDMOQEMKU-INIZCTEOSA-N
XLogP1.38
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
CID 162696800
(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
(5S)-5-cyclopropyl-5-[3-oxo-3-[5-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidine-2,4-dione
CID 156822921
(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
N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90137143
[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]methanamine
CID 178136681
(4S)-4-cyclopropyl-4-[3-hydroxy-2-methyl-3-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]propyl]imidazolidin-2-one
CID 156823135
N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 140682230
N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-1,5-dimethyl-6-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
CID 163908439
3-cyclopropyl-3-methyl-7-(trifluoromethyl)-1,4-dihydroquinoxalin-2-one
CID 115502336
2-[3-oxo-7-(trifluoromethyl)-2,4-dihydro-1H-quinoxalin-2-yl]acetic acid
CID 82184609

Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide?
The IUPAC name of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide (CID 162514231) is N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide.
What is the SMILES notation for N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide?
The canonical SMILES for N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide is O=CN(C[C@@]1(C2CC2)NC(=O)NC1=O)N1Cc2ccc(C(F)(F)F)cc2C1.
What is the InChIKey of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide?
The InChIKey is YDUZWSDMOQEMKU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c18-17(19,20)13-2-1-10-6-23(7-11(10)5-13)24(9-25)8-16(12-3-4-12)14(26)21-15(27)22-16/h1-2,5,9,12H,3-4,6-8H2,(H2,21,22,26,27)/t16-/m0/s1.
What are the key properties of N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide?
N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide has a molecular weight of 382.34 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-N-[5-(trifluoromethyl)-1,3-dihydroisoindol-2-yl]formamide is sourced from PubChem (CID 162514231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).