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

C14H15ClF3N3O2 — CID 71456134

IUPAC(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide
SMILESCCN1C(=O)NC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C14H15ClF3N3O2/c1-2-21-10(7-20-13(21)23)12(22)19-6-8-4-3-5-9(11(8)15)14(16,17)18/h3-5,10H,2,6-7H2,1H3,(H,19,22)(H,20,23)/t10-/m0/s1
InChIKeyYZEZNZGQOXRCQI-JTQLQIEISA-N
MW349.74 g/mol
LogP2.39
Rot. Bonds4

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

(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 71456134) has the molecular formula C14H15ClF3N3O2 and a molecular weight of 349.74 g/mol. Its IUPAC name is (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide
PubChem CID71456134
Molecular FormulaC14H15ClF3N3O2
Molecular Weight349.74 g/mol
Exact Mass349.08
IUPAC Name(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide
SMILESCCN1C(=O)NC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C14H15ClF3N3O2/c1-2-21-10(7-20-13(21)23)12(22)19-6-8-4-3-5-9(11(8)15)14(16,17)18/h3-5,10H,2,6-7H2,1H3,(H,19,22)(H,20,23)/t10-/m0/s1
InChIKeyYZEZNZGQOXRCQI-JTQLQIEISA-N
XLogP2.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.74
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide (CID 71456134) is (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide is CCN1C(=O)NC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is YZEZNZGQOXRCQI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15ClF3N3O2/c1-2-21-10(7-20-13(21)23)12(22)19-6-8-4-3-5-9(11(8)15)14(16,17)18/h3-5,10H,2,6-7H2,1H3,(H,19,22)(H,20,23)/t10-/m0/s1.
What are the key properties of (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 349.74 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-ethyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 71456134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).