[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C15H20ClF3N3O2+ — CID 9048951

IUPAC[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H19ClF3N3O2/c1-9(2)20-13(23)7-22(3)8-14(24)21-12-6-10(15(17,18)19)4-5-11(12)16/h4-6,9H,7-8H2,1-3H3,(H,20,23)(H,21,24)/p+1
InChIKeyHMNIRKROSAZMRP-UHFFFAOYSA-O
MW366.79 g/mol
LogP1.34
Rot. Bonds6

About [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 9048951) has the molecular formula C15H20ClF3N3O2+ and a molecular weight of 366.79 g/mol. Its IUPAC name is [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Name[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID9048951
Molecular FormulaC15H20ClF3N3O2+
Molecular Weight366.79 g/mol
Exact Mass366.12
IUPAC Name[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC(C)NC(=O)C[NH+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H19ClF3N3O2/c1-9(2)20-13(23)7-22(3)8-14(24)21-12-6-10(15(17,18)19)4-5-11(12)16/h4-6,9H,7-8H2,1-3H3,(H,20,23)(H,21,24)/p+1
InChIKeyHMNIRKROSAZMRP-UHFFFAOYSA-O
XLogP1.34
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.79
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium with MolForge

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-methylpropylsulfanyl)acetamide
CID 112779384
N,N'-bis[2-chloro-5-(trifluoromethyl)phenyl]nonanediamide
CID 54787319
(2R)-2-chloro-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 2396545
N'-[2-chloro-5-(trifluoromethyl)phenyl]-N-(3-methylbutyl)propanediamide
CID 108951833
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] (2R)-2-(carbamoylamino)propanoate
CID 2367757
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(carbamoylamino)propanoate
CID 3655422
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147795
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1184428
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9049449
2-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethoxy]acetate
CID 7407565
2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 24690259
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542425

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 9048951) is [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC(C)NC(=O)C[NH+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is HMNIRKROSAZMRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H19ClF3N3O2/c1-9(2)20-13(23)7-22(3)8-14(24)21-12-6-10(15(17,18)19)4-5-11(12)16/h4-6,9H,7-8H2,1-3H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 366.79 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 9048951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).