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

C19H24ClF3N4O3 — CID 52946708

IUPAC(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)N(CCN2CCOCC2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C19H24ClF3N4O3/c1-25-15(12-27(18(25)29)6-5-26-7-9-30-10-8-26)17(28)24-11-13-3-2-4-14(16(13)20)19(21,22)23/h2-4,15H,5-12H2,1H3,(H,24,28)/t15-/m0/s1
InChIKeyUVRHNTQEWNNUFT-HNNXBMFYSA-N
MW448.87 g/mol
LogP2.04
Rot. Bonds6

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

(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide (PubChem CID 52946708) has the molecular formula C19H24ClF3N4O3 and a molecular weight of 448.87 g/mol. Its IUPAC name is (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide
PubChem CID52946708
Molecular FormulaC19H24ClF3N4O3
Molecular Weight448.87 g/mol
Exact Mass448.15
IUPAC Name(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide
SMILESCN1C(=O)N(CCN2CCOCC2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C19H24ClF3N4O3/c1-25-15(12-27(18(25)29)6-5-26-7-9-30-10-8-26)17(28)24-11-13-3-2-4-14(16(13)20)19(21,22)23/h2-4,15H,5-12H2,1H3,(H,24,28)/t15-/m0/s1
InChIKeyUVRHNTQEWNNUFT-HNNXBMFYSA-N
XLogP2.04
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.87
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52944502
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 25020193
2-[3-(4-chlorobenzyl)-2-oxoimidazolidin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 9550768
2-({[(2-Chlorophenyl)methyl](cyclopentyl)carbamothioyl}amino)-N-[3-(morpholin-4-YL)propyl]acetamide
CID 16193394
(3S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-4-methyl-5-oxomorpholine-3-carboxamide
CID 52941885
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-4-carboxamide
CID 52942125
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 52944504
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-1-methyl-2-oxoimidazolidine-4-carboxamide
CID 71450788
(4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 71450794
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 24970122
N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-5-oxo-4-(phenylmethyl)-3-morpholinecarboxamide
CID 25020138
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide
CID 25094348

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide (CID 52946708) is (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide is CN1C(=O)N(CCN2CCOCC2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide?
The InChIKey is UVRHNTQEWNNUFT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24ClF3N4O3/c1-25-15(12-27(18(25)29)6-5-26-7-9-30-10-8-26)17(28)24-11-13-3-2-4-14(16(13)20)19(21,22)23/h2-4,15H,5-12H2,1H3,(H,24,28)/t15-/m0/s1.
What are the key properties of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide has a molecular weight of 448.87 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-1-(2-morpholin-4-ylethyl)-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 52946708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).