(4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

C14H14ClF4N3O2 — CID 71450794

IUPAC(4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2ccc(F)c(C(F)(F)F)c2Cl)N(C)C1=O
InChIInChI=1S/C14H14ClF4N3O2/c1-21-6-9(22(2)13(21)24)12(23)20-5-7-3-4-8(16)10(11(7)15)14(17,18)19/h3-4,9H,5-6H2,1-2H3,(H,20,23)/t9-/m0/s1
InChIKeyXHCNRIFVOGAHNU-VIFPVBQESA-N
MW367.73 g/mol
LogP2.48
Rot. Bonds3

About (4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide

(4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71450794) has the molecular formula C14H14ClF4N3O2 and a molecular weight of 367.73 g/mol. Its IUPAC name is (4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71450794
Molecular FormulaC14H14ClF4N3O2
Molecular Weight367.73 g/mol
Exact Mass367.07
IUPAC Name(4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1C[C@@H](C(=O)NCc2ccc(F)c(C(F)(F)F)c2Cl)N(C)C1=O
InChIInChI=1S/C14H14ClF4N3O2/c1-21-6-9(22(2)13(21)24)12(23)20-5-7-3-4-8(16)10(11(7)15)14(17,18)19/h3-4,9H,5-6H2,1-2H3,(H,20,23)/t9-/m0/s1
InChIKeyXHCNRIFVOGAHNU-VIFPVBQESA-N
XLogP2.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.73
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide with MolForge

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Related Compounds

Gsk-1482160
CID 23649427
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
CID 52944502
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CID 49864875
N-[(2-chloro-4-fluorophenyl)methyl]-1-methyl-5-oxo-prolinamide
CID 49864877
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxoprolinamide
CID 49864911
(2S)-N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propylpyrrolidine-2-carboxamide
CID 49864912
(2S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49865008
N-[(2-chloro-4-fluorophenyl)methyl]-1-ethyl-5-oxo-D-prolinamide
CID 49865054
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxoimidazolidine-4-carboxamide
CID 50898450
US20230312528, Example 61
CID 162509632

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (CID 71450794) is (4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is CN1C[C@@H](C(=O)NCc2ccc(F)c(C(F)(F)F)c2Cl)N(C)C1=O.
What is the InChIKey of (4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is XHCNRIFVOGAHNU-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14ClF4N3O2/c1-21-6-9(22(2)13(21)24)12(23)20-5-7-3-4-8(16)10(11(7)15)14(17,18)19/h3-4,9H,5-6H2,1-2H3,(H,20,23)/t9-/m0/s1.
What are the key properties of (4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 367.73 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[[2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71450794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).