N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide

C22H22ClF2N3O4 — CID 4520499

IUPACN-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)N1CC(=O)N(c2cccc(Cl)c2C)C1)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C22H22ClF2N3O4/c1-14-18(23)4-3-5-19(14)28-13-27(12-21(28)30)20(29)11-26(6-7-32-2)22(31)15-8-16(24)10-17(25)9-15/h3-5,8-10H,6-7,11-13H2,1-2H3
InChIKeyLBMHSUWBJFUGEK-UHFFFAOYSA-N
MW465.88 g/mol
LogP2.85
Rot. Bonds7

About N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide

N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide (PubChem CID 4520499) has the molecular formula C22H22ClF2N3O4 and a molecular weight of 465.88 g/mol. Its IUPAC name is N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide
PubChem CID4520499
Molecular FormulaC22H22ClF2N3O4
Molecular Weight465.88 g/mol
Exact Mass465.13
IUPAC NameN-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)N1CC(=O)N(c2cccc(Cl)c2C)C1)C(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C22H22ClF2N3O4/c1-14-18(23)4-3-5-19(14)28-13-27(12-21(28)30)20(29)11-26(6-7-32-2)22(31)15-8-16(24)10-17(25)9-15/h3-5,8-10H,6-7,11-13H2,1-2H3
InChIKeyLBMHSUWBJFUGEK-UHFFFAOYSA-N
XLogP2.85
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.88
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide (CID 4520499) is N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)N1CC(=O)N(c2cccc(Cl)c2C)C1)C(=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide?
The InChIKey is LBMHSUWBJFUGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF2N3O4/c1-14-18(23)4-3-5-19(14)28-13-27(12-21(28)30)20(29)11-26(6-7-32-2)22(31)15-8-16(24)10-17(25)9-15/h3-5,8-10H,6-7,11-13H2,1-2H3.
What are the key properties of N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide?
N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide has a molecular weight of 465.88 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-3,5-difluoro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 4520499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).