N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide

C27H27Cl2N3O2 — CID 69145531

IUPACN-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
SMILESCC(c1ccc(Cl)cc1)C(CNC(=O)Cc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H27Cl2N3O2/c1-18(20-4-8-22(28)9-5-20)25(21-6-10-23(29)11-7-21)17-31-26(33)16-19-2-12-24(13-3-19)32-15-14-30-27(32)34/h2-13,18,25H,14-17H2,1H3,(H,30,34)(H,31,33)
InChIKeyGBQAIDOAKUFHSN-UHFFFAOYSA-N
MW496.44 g/mol
LogP5.77
Rot. Bonds8

About N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide

N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide (PubChem CID 69145531) has the molecular formula C27H27Cl2N3O2 and a molecular weight of 496.44 g/mol. Its IUPAC name is N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
PubChem CID69145531
Molecular FormulaC27H27Cl2N3O2
Molecular Weight496.44 g/mol
Exact Mass495.15
IUPAC NameN-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
SMILESCC(c1ccc(Cl)cc1)C(CNC(=O)Cc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H27Cl2N3O2/c1-18(20-4-8-22(28)9-5-20)25(21-6-10-23(29)11-7-21)17-31-26(33)16-19-2-12-24(13-3-19)32-15-14-30-27(32)34/h2-13,18,25H,14-17H2,1H3,(H,30,34)(H,31,33)
InChIKeyGBQAIDOAKUFHSN-UHFFFAOYSA-N
XLogP5.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.44
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,3-bis(4-chlorophenyl)butyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 69375843
N-cyclopropyl-4-(2-oxoimidazolidin-1-yl)-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 51299403
N-[1-(3-fluoro-4-hydroxyphenyl)ethyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 56705120
4-chloro-N-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299854
2-[4-(2-oxoimidazolidin-1-yl)phenyl]propanoic acid
CID 23154771
N-[1-(3,4-difluorophenyl)ethyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299247
2-(furan-3-yl)-N-[1-[4-(2-oxoimidazolidin-1-yl)phenyl]ethyl]acetamide
CID 126819964
N-[2,3-bis(4-chlorophenyl)butyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 69145430
N-(3-aminobutyl)-4-(2-oxoimidazolidin-1-yl)benzamide
CID 119497450
N-[2,3-bis(4-chlorophenyl)butyl]-1-methylpiperidine-2-carboxamide
CID 69352127
2-(3,4-dichlorophenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 55489364
N-[5-chloro-2-(propylamino)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 75382285

Frequently Asked Questions

What is the IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide (CID 69145531) is N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide is CC(c1ccc(Cl)cc1)C(CNC(=O)Cc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
The InChIKey is GBQAIDOAKUFHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2N3O2/c1-18(20-4-8-22(28)9-5-20)25(21-6-10-23(29)11-7-21)17-31-26(33)16-19-2-12-24(13-3-19)32-15-14-30-27(32)34/h2-13,18,25H,14-17H2,1H3,(H,30,34)(H,31,33).
What are the key properties of N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide?
N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide has a molecular weight of 496.44 g/mol, XLogP of 5.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-bis(4-chlorophenyl)butyl]-2-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 69145531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).