N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide

C23H22ClF3N4O3 — CID 123289393

IUPACN-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)N(c2cccc(F)c2)C(C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)NC1=O
InChIInChI=1S/C23H22ClF3N4O3/c1-30-12-18(29-22(30)34)21(33)31(15-6-4-5-13(25)9-15)19(16-7-2-3-8-17(16)24)20(32)28-14-10-23(26,27)11-14/h2-9,14,18-19H,10-12H2,1H3,(H,28,32)(H,29,34)
InChIKeyUOFVHMZWBRVBEE-UHFFFAOYSA-N
MW494.90 g/mol
LogP3.49
Rot. Bonds6

About N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide

N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 123289393) has the molecular formula C23H22ClF3N4O3 and a molecular weight of 494.90 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide
PubChem CID123289393
Molecular FormulaC23H22ClF3N4O3
Molecular Weight494.90 g/mol
Exact Mass494.13
IUPAC NameN-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)N(c2cccc(F)c2)C(C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)NC1=O
InChIInChI=1S/C23H22ClF3N4O3/c1-30-12-18(29-22(30)34)21(33)31(15-6-4-5-13(25)9-15)19(16-7-2-3-8-17(16)24)20(32)28-14-10-23(26,27)11-14/h2-9,14,18-19H,10-12H2,1H3,(H,28,32)(H,29,34)
InChIKeyUOFVHMZWBRVBEE-UHFFFAOYSA-N
XLogP3.49
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.90
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide (CID 123289393) is N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide is CN1CC(C(=O)N(c2cccc(F)c2)C(C(=O)NC2CC(F)(F)C2)c2ccccc2Cl)NC1=O.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is UOFVHMZWBRVBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF3N4O3/c1-30-12-18(29-22(30)34)21(33)31(15-6-4-5-13(25)9-15)19(16-7-2-3-8-17(16)24)20(32)28-14-10-23(26,27)11-14/h2-9,14,18-19H,10-12H2,1H3,(H,28,32)(H,29,34).
What are the key properties of N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide?
N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 494.90 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-N-(3-fluorophenyl)-1-methyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 123289393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).