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

C14H15ClF3N3O2 — CID 24970122

IUPACN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(C(F)(F)F)c2Cl)N(C)C1=O
InChIInChI=1S/C14H15ClF3N3O2/c1-20-7-10(21(2)13(20)23)12(22)19-6-8-4-3-5-9(11(8)15)14(16,17)18/h3-5,10H,6-7H2,1-2H3,(H,19,22)
InChIKeyINOUFPKRGMZKSK-UHFFFAOYSA-N
MW349.74 g/mol
LogP2.34
Rot. Bonds3

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

N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (PubChem CID 24970122) has the molecular formula C14H15ClF3N3O2 and a molecular weight of 349.74 g/mol. Its IUPAC name is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
PubChem CID24970122
Molecular FormulaC14H15ClF3N3O2
Molecular Weight349.74 g/mol
Exact Mass349.08
IUPAC NameN-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide
SMILESCN1CC(C(=O)NCc2cccc(C(F)(F)F)c2Cl)N(C)C1=O
InChIInChI=1S/C14H15ClF3N3O2/c1-20-7-10(21(2)13(20)23)12(22)19-6-8-4-3-5-9(11(8)15)14(16,17)18/h3-5,10H,6-7H2,1-2H3,(H,19,22)
InChIKeyINOUFPKRGMZKSK-UHFFFAOYSA-N
XLogP2.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
N-(2-chloro-4-fluorobenzyl)-1-isopropyl-5-oxoprolinamide
CID 20968164
Gsk 1482160;gsk1482160
CID 45273136
(S)-N-(2-chloro-4-fluorobenzyl)-N-(pyrrolidin-3-yl)isobutyramide
CID 11623560
(4S)-N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 25020193
N-[(2-chloro-4-fluorophenyl)methyl]-1-(1-methylethyl)-5-oxo-prolinamide
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

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide (CID 24970122) is N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is CN1CC(C(=O)NCc2cccc(C(F)(F)F)c2Cl)N(C)C1=O.
What is the InChIKey of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
The InChIKey is INOUFPKRGMZKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3N3O2/c1-20-7-10(21(2)13(20)23)12(22)19-6-8-4-3-5-9(11(8)15)14(16,17)18/h3-5,10H,6-7H2,1-2H3,(H,19,22).
What are the key properties of N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide?
N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide has a molecular weight of 349.74 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-1,3-dimethyl-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 24970122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).