4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide

C22H23BrClN3O4 — CID 3376374

IUPAC4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)N1CC(=O)N(c2cccc(Cl)c2C)C1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H23BrClN3O4/c1-15-18(24)4-3-5-19(15)27-14-26(13-21(27)29)20(28)12-25(10-11-31-2)22(30)16-6-8-17(23)9-7-16/h3-9H,10-14H2,1-2H3
InChIKeyCJKYFBSNXVWPDG-UHFFFAOYSA-N
MW508.80 g/mol
LogP3.33
Rot. Bonds7

About 4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide

4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide (PubChem CID 3376374) has the molecular formula C22H23BrClN3O4 and a molecular weight of 508.80 g/mol. Its IUPAC name is 4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
PubChem CID3376374
Molecular FormulaC22H23BrClN3O4
Molecular Weight508.80 g/mol
Exact Mass507.06
IUPAC Name4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)N1CC(=O)N(c2cccc(Cl)c2C)C1)C(=O)c1ccc(Br)cc1
InChIInChI=1S/C22H23BrClN3O4/c1-15-18(24)4-3-5-19(15)27-14-26(13-21(27)29)20(28)12-25(10-11-31-2)22(30)16-6-8-17(23)9-7-16/h3-9H,10-14H2,1-2H3
InChIKeyCJKYFBSNXVWPDG-UHFFFAOYSA-N
XLogP3.33
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.80
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-dimethoxy-N-(3-methoxypropyl)benzamide
CID 42770707
N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 3460978
N-[2-[3-(2,3-dimethylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3-hydroxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 70861165
N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylbutanamide
CID 4126436
2-chloro-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3324074
3-chloro-N-[2-[3-[(4-chlorophenyl)methyl]-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 59434037
N-(2-methoxyethyl)-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide
CID 4222132
4-bromo-N-(2-methoxyethyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779430
3-benzyl-1-(2-methoxyethyl)-1-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]urea
CID 3949694
tert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate
CID 59434021
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-(2-methoxyethyl)hexanamide
CID 4183545
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3-cyclopentyl-N-(2-methoxyethyl)propanamide
CID 3496333

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide (CID 3376374) is 4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)N1CC(=O)N(c2cccc(Cl)c2C)C1)C(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is CJKYFBSNXVWPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrClN3O4/c1-15-18(24)4-3-5-19(15)27-14-26(13-21(27)29)20(28)12-25(10-11-31-2)22(30)16-6-8-17(23)9-7-16/h3-9H,10-14H2,1-2H3.
What are the key properties of 4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide?
4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 508.80 g/mol, XLogP of 3.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 3376374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).