N-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide

C18H20ClN3O5 — CID 46561692

IUPACN-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)CC(O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H20ClN3O5/c1-21(11-18(24)20-17-8-3-2-7-16(17)19)10-14(23)12-27-15-6-4-5-13(9-15)22(25)26/h2-9,14,23H,10-12H2,1H3,(H,20,24)
InChIKeyYPZOWOVLAAIXSR-UHFFFAOYSA-N
MW393.83 g/mol
LogP2.56
Rot. Bonds9

About N-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide

N-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide (PubChem CID 46561692) has the molecular formula C18H20ClN3O5 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide
PubChem CID46561692
Molecular FormulaC18H20ClN3O5
Molecular Weight393.83 g/mol
Exact Mass393.11
IUPAC NameN-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1Cl)CC(O)COc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H20ClN3O5/c1-21(11-18(24)20-17-8-3-2-7-16(17)19)10-14(23)12-27-15-6-4-5-13(9-15)22(25)26/h2-9,14,23H,10-12H2,1H3,(H,20,24)
InChIKeyYPZOWOVLAAIXSR-UHFFFAOYSA-N
XLogP2.56
TPSA104.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)methyl-ethylamino]-3-(3-nitrophenoxy)propan-2-ol
CID 55682453
N-(3-chloro-2-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865374
1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(3-nitrophenoxy)propan-2-ol
CID 110903416
2-[[2-hydroxy-3-(3-methylphenoxy)propyl]-methylamino]-N-phenylacetamide
CID 110888449
N-(3-ethynylphenyl)-2-[(2-hydroxy-3-phenoxypropyl)-methylamino]acetamide
CID 110898643
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]-methylamino]-N-(3-chlorophenyl)acetamide
CID 112820790
N-(2,5-dichlorophenyl)-2-(3-nitrophenoxy)acetamide
CID 7865410
N-(2-chloro-4-nitrophenyl)-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 9288060
1-(3-nitrophenoxy)-3-(propylamino)propan-2-ol
CID 43090702
1-[2-(2,6-dichloroanilino)ethyl-methylamino]-3-(4-nitrophenoxy)propan-2-ol
CID 110168545
2-[benzyl(methyl)amino]-N-(2-chloro-4-nitrophenyl)acetamide
CID 8901305
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-chloro-3-nitrophenyl)acetamide
CID 18078774

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide (CID 46561692) is N-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide is CN(CC(=O)Nc1ccccc1Cl)CC(O)COc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide?
The InChIKey is YPZOWOVLAAIXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O5/c1-21(11-18(24)20-17-8-3-2-7-16(17)19)10-14(23)12-27-15-6-4-5-13(9-15)22(25)26/h2-9,14,23H,10-12H2,1H3,(H,20,24).
What are the key properties of N-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide?
N-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide has a molecular weight of 393.83 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[[2-hydroxy-3-(3-nitrophenoxy)propyl]-methylamino]acetamide is sourced from PubChem (CID 46561692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).