4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide

C21H25F2N3O2 — CID 57495599

IUPAC4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide
SMILESC[C@@]1(c2ccc(F)c(F)c2)CN(C2C3CC4CC2CC(C(N)=O)(C4)C3)C(=O)N1
InChIInChI=1S/C21H25F2N3O2/c1-20(14-2-3-15(22)16(23)6-14)10-26(19(28)25-20)17-12-4-11-5-13(17)9-21(7-11,8-12)18(24)27/h2-3,6,11-13,17H,4-5,7-10H2,1H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17?,20-,21?/m0/s1
InChIKeyGMJSAANNZXMROB-KOORWYFBSA-N
MW389.45 g/mol
LogP2.89
Rot. Bonds3

About 4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide

4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide (PubChem CID 57495599) has the molecular formula C21H25F2N3O2 and a molecular weight of 389.45 g/mol. Its IUPAC name is 4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide
PubChem CID57495599
Molecular FormulaC21H25F2N3O2
Molecular Weight389.45 g/mol
Exact Mass389.19
IUPAC Name4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide
SMILESC[C@@]1(c2ccc(F)c(F)c2)CN(C2C3CC4CC2CC(C(N)=O)(C4)C3)C(=O)N1
InChIInChI=1S/C21H25F2N3O2/c1-20(14-2-3-15(22)16(23)6-14)10-26(19(28)25-20)17-12-4-11-5-13(17)9-21(7-11,8-12)18(24)27/h2-3,6,11-13,17H,4-5,7-10H2,1H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17?,20-,21?/m0/s1
InChIKeyGMJSAANNZXMROB-KOORWYFBSA-N
XLogP2.89
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide?
The IUPAC name of 4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide (CID 57495599) is 4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide.
What is the SMILES notation for 4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide?
The canonical SMILES for 4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide is C[C@@]1(c2ccc(F)c(F)c2)CN(C2C3CC4CC2CC(C(N)=O)(C4)C3)C(=O)N1.
What is the InChIKey of 4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide?
The InChIKey is GMJSAANNZXMROB-KOORWYFBSA-N. The full InChI is InChI=1S/C21H25F2N3O2/c1-20(14-2-3-15(22)16(23)6-14)10-26(19(28)25-20)17-12-4-11-5-13(17)9-21(7-11,8-12)18(24)27/h2-3,6,11-13,17H,4-5,7-10H2,1H3,(H2,24,27)(H,25,28)/t11?,12?,13?,17?,20-,21?/m0/s1.
What are the key properties of 4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide?
4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2-oxoimidazolidin-1-yl]adamantane-1-carboxamide is sourced from PubChem (CID 57495599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).