N-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide

C15H19Cl2F3N2O2 — CID 112838785

IUPACN-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide
SMILESCCCN(CCOCC(F)(F)F)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2F3N2O2/c1-2-5-22(6-7-24-10-15(18,19)20)9-14(23)21-13-4-3-11(16)8-12(13)17/h3-4,8H,2,5-7,9-10H2,1H3,(H,21,23)
InChIKeyBLSOASPANLKMKZ-UHFFFAOYSA-N
MW387.23 g/mol
LogP4.22
Rot. Bonds9

About N-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide

N-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide (PubChem CID 112838785) has the molecular formula C15H19Cl2F3N2O2 and a molecular weight of 387.23 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide
PubChem CID112838785
Molecular FormulaC15H19Cl2F3N2O2
Molecular Weight387.23 g/mol
Exact Mass386.08
IUPAC NameN-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide
SMILESCCCN(CCOCC(F)(F)F)CC(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2F3N2O2/c1-2-5-22(6-7-24-10-15(18,19)20)9-14(23)21-13-4-3-11(16)8-12(13)17/h3-4,8H,2,5-7,9-10H2,1H3,(H,21,23)
InChIKeyBLSOASPANLKMKZ-UHFFFAOYSA-N
XLogP4.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
4-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]butanoic acid
CID 119134576
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(3,4-difluorophenyl)acetamide
CID 4968627
2-[bis(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 18870879
2-[[2-(2-bromoanilino)-2-oxoethyl]-propylamino]-N-(2,4-dichlorophenyl)acetamide
CID 27246768
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
2-[[2-(2,4-dichloroanilino)-2-oxoethyl]-propylamino]-N-(2,4-dimethoxyphenyl)acetamide
CID 2658488
N-(2,4-dichlorophenyl)-2-[(2-hydroxy-3-propan-2-yloxypropyl)-propylamino]acetamide
CID 78831944
N-(2,4-dichlorophenyl)-2-[[2-(N-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 26599527
N-(2,4-dichlorophenyl)-2-[[2-oxo-2-(1-phenylethylamino)ethyl]-propylamino]acetamide
CID 55354113
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
CID 119929563
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride
CID 119929562

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide (CID 112838785) is N-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide is CCCN(CCOCC(F)(F)F)CC(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide?
The InChIKey is BLSOASPANLKMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2F3N2O2/c1-2-5-22(6-7-24-10-15(18,19)20)9-14(23)21-13-4-3-11(16)8-12(13)17/h3-4,8H,2,5-7,9-10H2,1H3,(H,21,23).
What are the key properties of N-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide?
N-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide has a molecular weight of 387.23 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-[propyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetamide is sourced from PubChem (CID 112838785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).