N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide

C12H14ClN3O2 — CID 107807962

IUPACN-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C12H14ClN3O2/c1-18-5-4-15-8-12(17)16-11-3-2-9(7-14)6-10(11)13/h2-3,6,15H,4-5,8H2,1H3,(H,16,17)
InChIKeyHOODFHFTGSGIRK-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.39
Rot. Bonds6

About N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide

N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide (PubChem CID 107807962) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide
PubChem CID107807962
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC NameN-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(C#N)cc1Cl
InChIInChI=1S/C12H14ClN3O2/c1-18-5-4-15-8-12(17)16-11-3-2-9(7-14)6-10(11)13/h2-3,6,15H,4-5,8H2,1H3,(H,16,17)
InChIKeyHOODFHFTGSGIRK-UHFFFAOYSA-N
XLogP1.39
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.39
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

N-(2,4-dichlorophenyl)-2-(3-methoxypropylamino)acetamide
CID 54828800
N-(2-chloro-4,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281493
N-(2-chloro-5-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 103808635
2-(2-chloro-4-cyanoanilino)-N-(2-methylphenyl)acetamide
CID 103792073
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
5-chloro-2-methoxy-4-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79271305
N'-(2,4-dichlorophenyl)-N-(2-methoxyethyl)propanediamide
CID 108943222
2-(2-methoxyethylamino)-N-(2-methoxy-4-methylphenyl)acetamide
CID 79282634
N-(2-chloro-4-cyanophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103799786
N-(2-acetamido-5-methylphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119707722
5-hydroxy-2-[[2-(2-methoxyethylamino)acetyl]amino]benzoic acid
CID 79282540
N-(2-chloro-4-cyanophenyl)-2-methylbenzamide
CID 103799806

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide (CID 107807962) is N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1ccc(C#N)cc1Cl.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is HOODFHFTGSGIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-18-5-4-15-8-12(17)16-11-3-2-9(7-14)6-10(11)13/h2-3,6,15H,4-5,8H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide?
N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 267.72 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 107807962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).