N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide

C22H22ClN3O4 — CID 3976777

IUPACN-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(CC(=O)N2CC(=O)N(c3ccc(Cl)cc3)C2)C2CC2)c1
InChIInChI=1S/C22H22ClN3O4/c1-30-19-4-2-3-15(11-19)22(29)25(17-9-10-17)13-20(27)24-12-21(28)26(14-24)18-7-5-16(23)6-8-18/h2-8,11,17H,9-10,12-14H2,1H3
InChIKeyXRPGYUSZHAISRN-UHFFFAOYSA-N
MW427.89 g/mol
LogP2.79
Rot. Bonds6

About N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide

N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide (PubChem CID 3976777) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
PubChem CID3976777
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC NameN-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N(CC(=O)N2CC(=O)N(c3ccc(Cl)cc3)C2)C2CC2)c1
InChIInChI=1S/C22H22ClN3O4/c1-30-19-4-2-3-15(11-19)22(29)25(17-9-10-17)13-20(27)24-12-21(28)26(14-24)18-7-5-16(23)6-8-18/h2-8,11,17H,9-10,12-14H2,1H3
InChIKeyXRPGYUSZHAISRN-UHFFFAOYSA-N
XLogP2.79
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-cyclopropyl-4-ethylbenzamide
CID 4528509
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-2-methylbenzamide
CID 4033493
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 5145817
N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide
CID 63394478
methyl 2-[cyclopentyl-(3-methoxybenzoyl)amino]acetate
CID 80717814
N-[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 23860686
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-ethyl-2,2-dimethylpropanamide
CID 4115941
N-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-4-chloro-N-[2-(3-methoxyphenyl)-2-oxoethyl]benzamide
CID 51578367
N-(1-benzylpiperidin-4-yl)-3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058464
N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779474
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
CID 46145158

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide (CID 3976777) is N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide is COc1cccc(C(=O)N(CC(=O)N2CC(=O)N(c3ccc(Cl)cc3)C2)C2CC2)c1.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide?
The InChIKey is XRPGYUSZHAISRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c1-30-19-4-2-3-15(11-19)22(29)25(17-9-10-17)13-20(27)24-12-21(28)26(14-24)18-7-5-16(23)6-8-18/h2-8,11,17H,9-10,12-14H2,1H3.
What are the key properties of N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide?
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide has a molecular weight of 427.89 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide is sourced from PubChem (CID 3976777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).