4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide

C28H30ClN3O4 — CID 4595439

IUPAC4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
SMILESCCCCc1ccc(C(=O)N(CC(=O)N2CC(=O)N(c3cccc(Cl)c3C)C2)Cc2ccco2)cc1
InChIInChI=1S/C28H30ClN3O4/c1-3-4-7-21-11-13-22(14-12-21)28(35)30(16-23-8-6-15-36-23)17-26(33)31-18-27(34)32(19-31)25-10-5-9-24(29)20(25)2/h5-6,8-15H,3-4,7,16-19H2,1-2H3
InChIKeyGYYYIZSHHHYTHK-UHFFFAOYSA-N
MW508.02 g/mol
LogP5.06
Rot. Bonds9

About 4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide

4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 4595439) has the molecular formula C28H30ClN3O4 and a molecular weight of 508.02 g/mol. Its IUPAC name is 4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID4595439
Molecular FormulaC28H30ClN3O4
Molecular Weight508.02 g/mol
Exact Mass507.19
IUPAC Name4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
SMILESCCCCc1ccc(C(=O)N(CC(=O)N2CC(=O)N(c3cccc(Cl)c3C)C2)Cc2ccco2)cc1
InChIInChI=1S/C28H30ClN3O4/c1-3-4-7-21-11-13-22(14-12-21)28(35)30(16-23-8-6-15-36-23)17-26(33)31-18-27(34)32(19-31)25-10-5-9-24(29)20(25)2/h5-6,8-15H,3-4,7,16-19H2,1-2H3
InChIKeyGYYYIZSHHHYTHK-UHFFFAOYSA-N
XLogP5.06
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.02
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3376374
4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3980417
N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-propylbutanamide
CID 42778597
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)propanamide
CID 4307510
N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 3460978
4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4317229
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 3936154
N-[2-[3-(2,3-dimethylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3-hydroxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 70861165
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide
CID 3690061
(4-butylphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 17249343
4-butoxy-N-[(2-chloro-6-fluorophenyl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 19120118

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide (CID 4595439) is 4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide is CCCCc1ccc(C(=O)N(CC(=O)N2CC(=O)N(c3cccc(Cl)c3C)C2)Cc2ccco2)cc1.
What is the InChIKey of 4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is GYYYIZSHHHYTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O4/c1-3-4-7-21-11-13-22(14-12-21)28(35)30(16-23-8-6-15-36-23)17-26(33)31-18-27(34)32(19-31)25-10-5-9-24(29)20(25)2/h5-6,8-15H,3-4,7,16-19H2,1-2H3.
What are the key properties of 4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide?
4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 508.02 g/mol, XLogP of 5.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 4595439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).