N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide

C20H26ClF3N4O3 — CID 59252128

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)N(CCCN2CCOCC2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C20H26ClF3N4O3/c1-26-16(13-28(19(26)30)7-3-6-27-8-10-31-11-9-27)18(29)25-12-14-4-2-5-15(17(14)21)20(22,23)24/h2,4-5,16H,3,6-13H2,1H3,(H,25,29)
InChIKeyDQNHJFRJZMRWOI-UHFFFAOYSA-N
MW462.90 g/mol
LogP2.43
Rot. Bonds7

About N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 59252128) has the molecular formula C20H26ClF3N4O3 and a molecular weight of 462.90 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide
PubChem CID59252128
Molecular FormulaC20H26ClF3N4O3
Molecular Weight462.90 g/mol
Exact Mass462.16
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)N(CCCN2CCOCC2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C20H26ClF3N4O3/c1-26-16(13-28(19(26)30)7-3-6-27-8-10-31-11-9-27)18(29)25-12-14-4-2-5-15(17(14)21)20(22,23)24/h2,4-5,16H,3,6-13H2,1H3,(H,25,29)
InChIKeyDQNHJFRJZMRWOI-UHFFFAOYSA-N
XLogP2.43
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.90
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide (CID 59252128) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide is CN1C(=O)N(CCCN2CCOCC2)CC1C(=O)NCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is DQNHJFRJZMRWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClF3N4O3/c1-26-16(13-28(19(26)30)7-3-6-27-8-10-31-11-9-27)18(29)25-12-14-4-2-5-15(17(14)21)20(22,23)24/h2,4-5,16H,3,6-13H2,1H3,(H,25,29).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 462.90 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(3-morpholin-4-ylpropyl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 59252128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).