2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one

C22H22ClF3N4O3 — CID 144779563

IUPAC2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one
SMILESO=C1NCCN1.O=CN(c1cccc(F)c1)C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl
InChIInChI=1S/C19H16ClF3N2O2.C3H6N2O/c20-16-7-2-1-6-15(16)17(18(27)24-13-9-19(22,23)10-13)25(11-26)14-5-3-4-12(21)8-14;6-3-4-1-2-5-3/h1-8,11,13,17H,9-10H2,(H,24,27);1-2H2,(H2,4,5,6)
InChIKeyDUTXUZCKOOQELH-UHFFFAOYSA-N
MW482.89 g/mol
LogP3.40
Rot. Bonds6

About 2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one

2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one (PubChem CID 144779563) has the molecular formula C22H22ClF3N4O3 and a molecular weight of 482.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one
PubChem CID144779563
Molecular FormulaC22H22ClF3N4O3
Molecular Weight482.89 g/mol
Exact Mass482.13
IUPAC Name2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one
SMILESO=C1NCCN1.O=CN(c1cccc(F)c1)C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl
InChIInChI=1S/C19H16ClF3N2O2.C3H6N2O/c20-16-7-2-1-6-15(16)17(18(27)24-13-9-19(22,23)10-13)25(11-26)14-5-3-4-12(21)8-14;6-3-4-1-2-5-3/h1-8,11,13,17H,9-10H2,(H,24,27);1-2H2,(H2,4,5,6)
InChIKeyDUTXUZCKOOQELH-UHFFFAOYSA-N
XLogP3.40
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.89
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one?
The IUPAC name of 2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one (CID 144779563) is 2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one?
The canonical SMILES for 2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one is O=C1NCCN1.O=CN(c1cccc(F)c1)C(C(=O)NC1CC(F)(F)C1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one?
The InChIKey is DUTXUZCKOOQELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O2.C3H6N2O/c20-16-7-2-1-6-15(16)17(18(27)24-13-9-19(22,23)10-13)25(11-26)14-5-3-4-12(21)8-14;6-3-4-1-2-5-3/h1-8,11,13,17H,9-10H2,(H,24,27);1-2H2,(H2,4,5,6).
What are the key properties of 2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one?
2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one has a molecular weight of 482.89 g/mol, XLogP of 3.40, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(3,3-difluorocyclobutyl)-2-(3-fluoro-N-formylanilino)acetamide;imidazolidin-2-one is sourced from PubChem (CID 144779563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).