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

C22H24ClN3O4 — CID 42770524

IUPACN-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccccc1C(=O)N(CC(=O)N1CC(=O)N(c2cccc(Cl)c2)C1)C(C)C
InChIInChI=1S/C22H24ClN3O4/c1-15(2)25(22(29)18-9-4-5-10-19(18)30-3)13-20(27)24-12-21(28)26(14-24)17-8-6-7-16(23)11-17/h4-11,15H,12-14H2,1-3H3
InChIKeyXUVJWHJEEKCIAL-UHFFFAOYSA-N
MW429.90 g/mol
LogP3.03
Rot. Bonds6

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

N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide (PubChem CID 42770524) has the molecular formula C22H24ClN3O4 and a molecular weight of 429.90 g/mol. Its IUPAC name is N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide
PubChem CID42770524
Molecular FormulaC22H24ClN3O4
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC NameN-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide
SMILESCOc1ccccc1C(=O)N(CC(=O)N1CC(=O)N(c2cccc(Cl)c2)C1)C(C)C
InChIInChI=1S/C22H24ClN3O4/c1-15(2)25(22(29)18-9-4-5-10-19(18)30-3)13-20(27)24-12-21(28)26(14-24)17-8-6-7-16(23)11-17/h4-11,15H,12-14H2,1-3H3
InChIKeyXUVJWHJEEKCIAL-UHFFFAOYSA-N
XLogP3.03
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2,4-dimethoxy-N-propan-2-ylbenzamide
CID 5145817
4-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4317229
2-chloro-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 3324074
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-cyclopropyl-2-methylbenzamide
CID 4033493
N-(3-chloropropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 63391141
3-tert-butyl-1-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-1-propan-2-ylurea
CID 3495066
N-[2-[3-(4-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 3638094
N-(2-methoxyethyl)-N-[2-[3-(3-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]naphthalene-1-carboxamide
CID 4222132
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3-cyclopentyl-N-(2-methoxyethyl)propanamide
CID 3496333
N-butyl-N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 3654282
2-(3-chlorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 110818232
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide?
The IUPAC name of N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide (CID 42770524) is N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide is COc1ccccc1C(=O)N(CC(=O)N1CC(=O)N(c2cccc(Cl)c2)C1)C(C)C.
What is the InChIKey of N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide?
The InChIKey is XUVJWHJEEKCIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4/c1-15(2)25(22(29)18-9-4-5-10-19(18)30-3)13-20(27)24-12-21(28)26(14-24)17-8-6-7-16(23)11-17/h4-11,15H,12-14H2,1-3H3.
What are the key properties of N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide?
N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide has a molecular weight of 429.90 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-chlorophenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-2-methoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 42770524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).