2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide

C11H12ClN3O2 — CID 79463983

IUPAC2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)COCCN)cc1Cl
InChIInChI=1S/C11H12ClN3O2/c12-10-5-9(2-1-8(10)6-14)15-11(16)7-17-4-3-13/h1-2,5H,3-4,7,13H2,(H,15,16)
InChIKeyFFKXJAACCNBXGC-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.13
Rot. Bonds5

About 2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide

2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide (PubChem CID 79463983) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide
PubChem CID79463983
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide
SMILESN#Cc1ccc(NC(=O)COCCN)cc1Cl
InChIInChI=1S/C11H12ClN3O2/c12-10-5-9(2-1-8(10)6-14)15-11(16)7-17-4-3-13/h1-2,5H,3-4,7,13H2,(H,15,16)
InChIKeyFFKXJAACCNBXGC-UHFFFAOYSA-N
XLogP1.13
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782364
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 8014507
2-(2-aminoethoxy)-N-(3-chloro-4-nitrophenyl)acetamide
CID 82864620
2-(2-aminoethoxy)-N-(4-cyanophenyl)acetamide
CID 79463677
2-(2-aminoethoxy)-N-[3-chloro-4-(dimethylamino)phenyl]acetamide
CID 79473066
2-(2-aminoethoxy)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 79472891
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate
CID 18271373
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833499
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-methylbenzoate
CID 8708615
N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2103781
2-(2-aminoethoxy)-N-(3,5-dichlorophenyl)acetamide
CID 79464434
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] (3S)-3-phenylbutanoate
CID 7227700

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide (CID 79463983) is 2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide is N#Cc1ccc(NC(=O)COCCN)cc1Cl.
What is the InChIKey of 2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide?
The InChIKey is FFKXJAACCNBXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-10-5-9(2-1-8(10)6-14)15-11(16)7-17-4-3-13/h1-2,5H,3-4,7,13H2,(H,15,16).
What are the key properties of 2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide?
2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide has a molecular weight of 253.69 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-(3-chloro-4-cyanophenyl)acetamide is sourced from PubChem (CID 79463983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).