4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide

C25H30ClN3O3 — CID 4317229

IUPAC4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCCCCc1ccc(C(=O)N(CC(=O)N2CC(=O)N(c3cccc(Cl)c3)C2)C(C)C)cc1
InChIInChI=1S/C25H30ClN3O3/c1-4-5-7-19-10-12-20(13-11-19)25(32)28(18(2)3)16-23(30)27-15-24(31)29(17-27)22-9-6-8-21(26)14-22/h6,8-14,18H,4-5,7,15-17H2,1-3H3
InChIKeyLSQIXKMWEWBMOR-UHFFFAOYSA-N
MW455.99 g/mol
LogP4.37
Rot. Bonds8

About 4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide

4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide (PubChem CID 4317229) has the molecular formula C25H30ClN3O3 and a molecular weight of 455.99 g/mol. Its IUPAC name is 4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
PubChem CID4317229
Molecular FormulaC25H30ClN3O3
Molecular Weight455.99 g/mol
Exact Mass455.20
IUPAC Name4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
SMILESCCCCc1ccc(C(=O)N(CC(=O)N2CC(=O)N(c3cccc(Cl)c3)C2)C(C)C)cc1
InChIInChI=1S/C25H30ClN3O3/c1-4-5-7-19-10-12-20(13-11-19)25(32)28(18(2)3)16-23(30)27-15-24(31)29(17-27)22-9-6-8-21(26)14-22/h6,8-14,18H,4-5,7,15-17H2,1-3H3
InChIKeyLSQIXKMWEWBMOR-UHFFFAOYSA-N
XLogP4.37
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide
CID 42770524
N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 3654282
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-ethyl-N-(2-methoxyethyl)hexanamide
CID 4183545
N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-yl-4-(trifluoromethyl)benzamide
CID 4168610
N-[2-[3-(4-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylhexanamide
CID 4612458
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-methylbenzamide
CID 4190375
4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
CID 4595439
4-ethyl-N-[2-[3-(4-fluorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 5121903
3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea
CID 3495066
N-butyl-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,2-diphenylacetamide
CID 4258893
2-chloro-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3324074
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-4-ethylbenzamide
CID 4528509

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide (CID 4317229) is 4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide is CCCCc1ccc(C(=O)N(CC(=O)N2CC(=O)N(c3cccc(Cl)c3)C2)C(C)C)cc1.
What is the InChIKey of 4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide?
The InChIKey is LSQIXKMWEWBMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O3/c1-4-5-7-19-10-12-20(13-11-19)25(32)28(18(2)3)16-23(30)27-15-24(31)29(17-27)22-9-6-8-21(26)14-22/h6,8-14,18H,4-5,7,15-17H2,1-3H3.
What are the key properties of 4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide?
4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide has a molecular weight of 455.99 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 4317229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).