N-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide

C21H23Cl2FN2O2 — CID 86899752

IUPACN-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide
SMILESO=C(CNC1(c2ccc(F)cc2)CCOCC1)NCCc1cccc(Cl)c1Cl
InChIInChI=1S/C21H23Cl2FN2O2/c22-18-3-1-2-15(20(18)23)8-11-25-19(27)14-26-21(9-12-28-13-10-21)16-4-6-17(24)7-5-16/h1-7,26H,8-14H2,(H,25,27)
InChIKeyZMPSBBQWIMCMEG-UHFFFAOYSA-N
MW425.33 g/mol
LogP4.09
Rot. Bonds7

About N-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide

N-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide (PubChem CID 86899752) has the molecular formula C21H23Cl2FN2O2 and a molecular weight of 425.33 g/mol. Its IUPAC name is N-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide
PubChem CID86899752
Molecular FormulaC21H23Cl2FN2O2
Molecular Weight425.33 g/mol
Exact Mass424.11
IUPAC NameN-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide
SMILESO=C(CNC1(c2ccc(F)cc2)CCOCC1)NCCc1cccc(Cl)c1Cl
InChIInChI=1S/C21H23Cl2FN2O2/c22-18-3-1-2-15(20(18)23)8-11-25-19(27)14-26-21(9-12-28-13-10-21)16-4-6-17(24)7-5-16/h1-7,26H,8-14H2,(H,25,27)
InChIKeyZMPSBBQWIMCMEG-UHFFFAOYSA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.33
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(propylcarbamoyl)acetamide
CID 56783659
4-(aminomethyl)-N-[2-(2,3-dichlorophenyl)ethyl]oxane-4-carboxamide
CID 120926006
2-chloro-N-[4-(4-fluorophenyl)oxan-4-yl]acetamide
CID 166403727
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 56783660
2-[[4-(4-fluorophenyl)oxan-4-yl]amino]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 86899757
5-bromo-N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 55866728
1-amino-N-[2-(2,3-dichlorophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119296433
2-chloro-N-[2-(3-chloro-2-fluorophenyl)ethyl]acetamide
CID 166409215
N-[2-[2-(2,3-dichlorophenyl)ethylamino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 55867498
2-(4-fluorophenyl)-N-[2-[4-(4-hydroxyoxan-4-yl)-1H-indol-3-yl]ethyl]acetamide
CID 92568271
2-[(2-chlorophenyl)methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 108997925
2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 86899713

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide?
The IUPAC name of N-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide (CID 86899752) is N-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide.
What is the SMILES notation for N-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide?
The canonical SMILES for N-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide is O=C(CNC1(c2ccc(F)cc2)CCOCC1)NCCc1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide?
The InChIKey is ZMPSBBQWIMCMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2FN2O2/c22-18-3-1-2-15(20(18)23)8-11-25-19(27)14-26-21(9-12-28-13-10-21)16-4-6-17(24)7-5-16/h1-7,26H,8-14H2,(H,25,27).
What are the key properties of N-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide?
N-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide has a molecular weight of 425.33 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dichlorophenyl)ethyl]-2-[[4-(4-fluorophenyl)oxan-4-yl]amino]acetamide is sourced from PubChem (CID 86899752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).