N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide

C19H17F2N3O5 — CID 6991484

IUPACN-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide
SMILESC[C@]1(c2cccc(OCC(=O)Nc3ccc(OC(F)F)cc3)c2)NC(=O)NC1=O
InChIInChI=1S/C19H17F2N3O5/c1-19(16(26)23-18(27)24-19)11-3-2-4-14(9-11)28-10-15(25)22-12-5-7-13(8-6-12)29-17(20)21/h2-9,17H,10H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/m1/s1
InChIKeyMHVVRUUCJKPYOD-LJQANCHMSA-N
MW405.36 g/mol
LogP2.36
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide

N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide (PubChem CID 6991484) has the molecular formula C19H17F2N3O5 and a molecular weight of 405.36 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide
PubChem CID6991484
Molecular FormulaC19H17F2N3O5
Molecular Weight405.36 g/mol
Exact Mass405.11
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide
SMILESC[C@]1(c2cccc(OCC(=O)Nc3ccc(OC(F)F)cc3)c2)NC(=O)NC1=O
InChIInChI=1S/C19H17F2N3O5/c1-19(16(26)23-18(27)24-19)11-3-2-4-14(9-11)28-10-15(25)22-12-5-7-13(8-6-12)29-17(20)21/h2-9,17H,10H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/m1/s1
InChIKeyMHVVRUUCJKPYOD-LJQANCHMSA-N
XLogP2.36
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.36
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide (CID 6991484) is N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide is C[C@]1(c2cccc(OCC(=O)Nc3ccc(OC(F)F)cc3)c2)NC(=O)NC1=O.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide?
The InChIKey is MHVVRUUCJKPYOD-LJQANCHMSA-N. The full InChI is InChI=1S/C19H17F2N3O5/c1-19(16(26)23-18(27)24-19)11-3-2-4-14(9-11)28-10-15(25)22-12-5-7-13(8-6-12)29-17(20)21/h2-9,17H,10H2,1H3,(H,22,25)(H2,23,24,26,27)/t19-/m1/s1.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide?
N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide has a molecular weight of 405.36 g/mol, XLogP of 2.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenoxy]acetamide is sourced from PubChem (CID 6991484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).