N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide

C16H19ClF3N3O2 — CID 124568286

IUPACN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
SMILESCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H19ClF3N3O2/c1-2-23-7-3-4-11(23)9-21-14(24)15(25)22-10-5-6-13(17)12(8-10)16(18,19)20/h5-6,8,11H,2-4,7,9H2,1H3,(H,21,24)(H,22,25)/t11-/m1/s1
InChIKeyPZCJSJAMALAIBG-LLVKDONJSA-N
MW377.79 g/mol
LogP2.90
Rot. Bonds4

About N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide

N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide (PubChem CID 124568286) has the molecular formula C16H19ClF3N3O2 and a molecular weight of 377.79 g/mol. Its IUPAC name is N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
PubChem CID124568286
Molecular FormulaC16H19ClF3N3O2
Molecular Weight377.79 g/mol
Exact Mass377.11
IUPAC NameN'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
SMILESCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H19ClF3N3O2/c1-2-23-7-3-4-11(23)9-21-14(24)15(25)22-10-5-6-13(17)12(8-10)16(18,19)20/h5-6,8,11H,2-4,7,9H2,1H3,(H,21,24)(H,22,25)/t11-/m1/s1
InChIKeyPZCJSJAMALAIBG-LLVKDONJSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.79
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-[6-(trifluoromethyl)-3-pyridinyl]oxamide
CID 51971203
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CID 45495161
N'-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
CID 3156748
N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 7255910
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
(2S)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104560
N-(2-acetamidoethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]oxamide
CID 108515875
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N'-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)oxamide
CID 51971279
3-[[2-[(1-ethylpyrrolidin-2-yl)methylamino]-2-oxoacetyl]amino]-4-methylbenzoic acid
CID 51053262
N'-(2,6-dimethylphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 2205501
1-(3-chloro-4-methylphenyl)-3-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]thiourea
CID 8748815
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108952277

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide?
The IUPAC name of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide (CID 124568286) is N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide.
What is the SMILES notation for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide?
The canonical SMILES for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide is CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide?
The InChIKey is PZCJSJAMALAIBG-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19ClF3N3O2/c1-2-23-7-3-4-11(23)9-21-14(24)15(25)22-10-5-6-13(17)12(8-10)16(18,19)20/h5-6,8,11H,2-4,7,9H2,1H3,(H,21,24)(H,22,25)/t11-/m1/s1.
What are the key properties of N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide?
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide has a molecular weight of 377.79 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]oxamide is sourced from PubChem (CID 124568286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).