N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide

C22H24ClN3O6 — CID 3638094

IUPACN-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)CC(=O)N2CC(=O)N(c3ccc(Cl)cc3)C2)cc(OC)c1OC
InChIInChI=1S/C22H24ClN3O6/c1-24(22(29)14-9-17(30-2)21(32-4)18(10-14)31-3)11-19(27)25-12-20(28)26(13-25)16-7-5-15(23)6-8-16/h5-10H,11-13H2,1-4H3
InChIKeyQXMYBLBCQRHZEJ-UHFFFAOYSA-N
MW461.90 g/mol
LogP2.27
Rot. Bonds7

About N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide

N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide (PubChem CID 3638094) has the molecular formula C22H24ClN3O6 and a molecular weight of 461.90 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide
PubChem CID3638094
Molecular FormulaC22H24ClN3O6
Molecular Weight461.90 g/mol
Exact Mass461.14
IUPAC NameN-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide
SMILESCOc1cc(C(=O)N(C)CC(=O)N2CC(=O)N(c3ccc(Cl)cc3)C2)cc(OC)c1OC
InChIInChI=1S/C22H24ClN3O6/c1-24(22(29)14-9-17(30-2)21(32-4)18(10-14)31-3)11-19(27)25-12-20(28)26(13-25)16-7-5-15(23)6-8-16/h5-10H,11-13H2,1-4H3
InChIKeyQXMYBLBCQRHZEJ-UHFFFAOYSA-N
XLogP2.27
TPSA88.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.90
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-ethyl-3,4,5-trimethoxybenzamide
CID 3638102
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-methylbenzamide
CID 4190375
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 5145817
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
CID 3976777
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-4-ethylbenzamide
CID 4528509
N-cyclopropyl-3,5-dimethoxy-N-[2-[3-(4-methoxyphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]benzamide
CID 5200612
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-ethyl-2,2-dimethylpropanamide
CID 4115941
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide
CID 42770524
3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 24551923
4-chloro-2-methoxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 51095335
3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea
CID 3495066
2-chloro-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3324074

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide (CID 3638094) is N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide is COc1cc(C(=O)N(C)CC(=O)N2CC(=O)N(c3ccc(Cl)cc3)C2)cc(OC)c1OC.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide?
The InChIKey is QXMYBLBCQRHZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O6/c1-24(22(29)14-9-17(30-2)21(32-4)18(10-14)31-3)11-19(27)25-12-20(28)26(13-25)16-7-5-15(23)6-8-16/h5-10H,11-13H2,1-4H3.
What are the key properties of N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide?
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide has a molecular weight of 461.90 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 3638094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).