N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-oxoimidazolidine-4-carboxamide

C17H15ClFN3O2 — CID 134791609

IUPACN-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-oxoimidazolidine-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CN(c2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C17H15ClFN3O2/c18-12-3-1-2-11(8-12)9-20-16(23)15-10-22(17(24)21-15)14-6-4-13(19)5-7-14/h1-8,15H,9-10H2,(H,20,23)(H,21,24)
InChIKeyIBULHBPQIWDDTP-UHFFFAOYSA-N
MW347.78 g/mol
LogP2.69
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 134791609) has the molecular formula C17H15ClFN3O2 and a molecular weight of 347.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-oxoimidazolidine-4-carboxamide
PubChem CID134791609
Molecular FormulaC17H15ClFN3O2
Molecular Weight347.78 g/mol
Exact Mass347.08
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-oxoimidazolidine-4-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CN(c2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C17H15ClFN3O2/c18-12-3-1-2-11(8-12)9-20-16(23)15-10-22(17(24)21-15)14-6-4-13(19)5-7-14/h1-8,15H,9-10H2,(H,20,23)(H,21,24)
InChIKeyIBULHBPQIWDDTP-UHFFFAOYSA-N
XLogP2.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 25233754
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-phenyl-prolinamide
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US10676431, Example 21
CID 139454944

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-oxoimidazolidine-4-carboxamide (CID 134791609) is N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-oxoimidazolidine-4-carboxamide is O=C(NCc1cccc(Cl)c1)C1CN(c2ccc(F)cc2)C(=O)N1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is IBULHBPQIWDDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3O2/c18-12-3-1-2-11(8-12)9-20-16(23)15-10-22(17(24)21-15)14-6-4-13(19)5-7-14/h1-8,15H,9-10H2,(H,20,23)(H,21,24).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-oxoimidazolidine-4-carboxamide?
N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 347.78 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(4-fluorophenyl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 134791609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).