2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide

C13H14Cl4N2O2 — CID 60509941

IUPAC2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
SMILESO=C(CN(CCO)C1CC1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H14Cl4N2O2/c14-8-5-9(15)12(17)13(11(8)16)18-10(21)6-19(3-4-20)7-1-2-7/h5,7,20H,1-4,6H2,(H,18,21)
InChIKeyFAXILLRPQPHWKM-UHFFFAOYSA-N
MW372.08 g/mol
LogP3.70
Rot. Bonds6

About 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide

2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide (PubChem CID 60509941) has the molecular formula C13H14Cl4N2O2 and a molecular weight of 372.08 g/mol. Its IUPAC name is 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
PubChem CID60509941
Molecular FormulaC13H14Cl4N2O2
Molecular Weight372.08 g/mol
Exact Mass369.98
IUPAC Name2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
SMILESO=C(CN(CCO)C1CC1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C13H14Cl4N2O2/c14-8-5-9(15)12(17)13(11(8)16)18-10(21)6-19(3-4-20)7-1-2-7/h5,7,20H,1-4,6H2,(H,18,21)
InChIKeyFAXILLRPQPHWKM-UHFFFAOYSA-N
XLogP3.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.08
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78897433
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 110892083
N-(3-chloro-4-methoxyphenyl)-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60509972
N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102860261
N-(3-chloro-4-methylphenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677060
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 60510265
N-[(4-chlorophenyl)methyl]-2-[cyclopropyl(2-hydroxyethyl)amino]acetamide
CID 60967771
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl(2-hydroxyethyl)amino]acetamide
CID 78825056
N-(3-chloro-4-fluorophenyl)-2-[cyclopropyl(4-hydroxybutyl)amino]acetamide
CID 111431998
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 102848440
2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 119932936

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The IUPAC name of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide (CID 60509941) is 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide is O=C(CN(CCO)C1CC1)Nc1c(Cl)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
The InChIKey is FAXILLRPQPHWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl4N2O2/c14-8-5-9(15)12(17)13(11(8)16)18-10(21)6-19(3-4-20)7-1-2-7/h5,7,20H,1-4,6H2,(H,18,21).
What are the key properties of 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide?
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide has a molecular weight of 372.08 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,3,5,6-tetrachlorophenyl)acetamide is sourced from PubChem (CID 60509941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).