N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide

C21H27F2N3O3 — CID 118286106

IUPACN-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide
SMILESCCCC(Cc1ccc(C(C)(F)F)cc1)C(=O)NCC1(C2CC2)NC(=O)NC1=O
InChIInChI=1S/C21H27F2N3O3/c1-3-4-14(11-13-5-7-15(8-6-13)20(2,22)23)17(27)24-12-21(16-9-10-16)18(28)25-19(29)26-21/h5-8,14,16H,3-4,9-12H2,1-2H3,(H,24,27)(H2,25,26,28,29)
InChIKeyYMTTZABZWVFYKR-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.86
Rot. Bonds9

About N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide

N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide (PubChem CID 118286106) has the molecular formula C21H27F2N3O3 and a molecular weight of 407.46 g/mol. Its IUPAC name is N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide.

Molecular Properties

Compound NameN-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide
PubChem CID118286106
Molecular FormulaC21H27F2N3O3
Molecular Weight407.46 g/mol
Exact Mass407.20
IUPAC NameN-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide
SMILESCCCC(Cc1ccc(C(C)(F)F)cc1)C(=O)NCC1(C2CC2)NC(=O)NC1=O
InChIInChI=1S/C21H27F2N3O3/c1-3-4-14(11-13-5-7-15(8-6-13)20(2,22)23)17(27)24-12-21(16-9-10-16)18(28)25-19(29)26-21/h5-8,14,16H,3-4,9-12H2,1-2H3,(H,24,27)(H2,25,26,28,29)
InChIKeyYMTTZABZWVFYKR-UHFFFAOYSA-N
XLogP2.86
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.86
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

(2R)-N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide
CID 118286104
N-[[(4R)-4-cyclopropyl-2,5-dioxoimidazolidin-4-yl]methyl]-3-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 140682230
N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90137143
N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-(trifluoromethyl)-1,3-dihydroisoindole-2-carboxamide
CID 162696800
(2R)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 100757807
(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
(3S)-3-amino-4-[4-(1,1-difluoroethyl)phenyl]butan-2-one
CID 163727286
(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
(2R)-N-[[(4R)-2,5-dioxoimidazolidin-4-yl]methyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 130342962
N-[(4-cyclobutyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-(3,4-difluorophenyl)triazole-4-carboxamide
CID 166636596
2-[[4-[2-[(4-tert-butylphenyl)carbamoyl]octyl]benzoyl]amino]ethanesulfonic acid
CID 88866767

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide?
The IUPAC name of N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide (CID 118286106) is N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide.
What is the SMILES notation for N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide?
The canonical SMILES for N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide is CCCC(Cc1ccc(C(C)(F)F)cc1)C(=O)NCC1(C2CC2)NC(=O)NC1=O.
What is the InChIKey of N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide?
The InChIKey is YMTTZABZWVFYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F2N3O3/c1-3-4-14(11-13-5-7-15(8-6-13)20(2,22)23)17(27)24-12-21(16-9-10-16)18(28)25-19(29)26-21/h5-8,14,16H,3-4,9-12H2,1-2H3,(H,24,27)(H2,25,26,28,29).
What are the key properties of N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide?
N-[(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)methyl]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide has a molecular weight of 407.46 g/mol, XLogP of 2.86, 9 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]-2-[[4-(1,1-difluoroethyl)phenyl]methyl]pentanamide is sourced from PubChem (CID 118286106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).