N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide

C18H24ClFN4O3 — CID 59252116

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)N(CCN2CCOCC2)CC1C(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C18H24ClFN4O3/c1-22-16(17(25)21-11-13-2-3-14(20)10-15(13)19)12-24(18(22)26)5-4-23-6-8-27-9-7-23/h2-3,10,16H,4-9,11-12H2,1H3,(H,21,25)
InChIKeyPJJGZJVUGQLFQY-UHFFFAOYSA-N
MW398.87 g/mol
LogP1.16
Rot. Bonds6

About N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 59252116) has the molecular formula C18H24ClFN4O3 and a molecular weight of 398.87 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide
PubChem CID59252116
Molecular FormulaC18H24ClFN4O3
Molecular Weight398.87 g/mol
Exact Mass398.15
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)N(CCN2CCOCC2)CC1C(=O)NCc1ccc(F)cc1Cl
InChIInChI=1S/C18H24ClFN4O3/c1-22-16(17(25)21-11-13-2-3-14(20)10-15(13)19)12-24(18(22)26)5-4-23-6-8-27-9-7-23/h2-3,10,16H,4-9,11-12H2,1H3,(H,21,25)
InChIKeyPJJGZJVUGQLFQY-UHFFFAOYSA-N
XLogP1.16
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.87
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide (CID 59252116) is N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide is CN1C(=O)N(CCN2CCOCC2)CC1C(=O)NCc1ccc(F)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is PJJGZJVUGQLFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClFN4O3/c1-22-16(17(25)21-11-13-2-3-14(20)10-15(13)19)12-24(18(22)26)5-4-23-6-8-27-9-7-23/h2-3,10,16H,4-9,11-12H2,1H3,(H,21,25).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 398.87 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 59252116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).