N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide

C11H15ClN2O2 — CID 62590078

IUPACN-(2-amino-6-chlorophenyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-2-16-7-6-10(15)14-11-8(12)4-3-5-9(11)13/h3-5H,2,6-7,13H2,1H3,(H,14,15)
InChIKeyKPCNLGRBTLQLCI-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.29
Rot. Bonds5

About N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide

N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide (PubChem CID 62590078) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-3-ethoxypropanamide
PubChem CID62590078
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC NameN-(2-amino-6-chlorophenyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1c(N)cccc1Cl
InChIInChI=1S/C11H15ClN2O2/c1-2-16-7-6-10(15)14-11-8(12)4-3-5-9(11)13/h3-5H,2,6-7,13H2,1H3,(H,14,15)
InChIKeyKPCNLGRBTLQLCI-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(2,6-dichloroanilino)-3-oxopropyl] acetate
CID 151379956
N-(2-amino-6-chlorophenyl)-3-phenylpropanamide
CID 62084084
2-chloro-6-(3-ethoxypropanoylamino)benzoic acid
CID 63724109
N-(2-amino-6-chlorophenyl)-3,3-dimethylbutanamide
CID 62083909
N,N'-bis(2,6-dichlorophenyl)butanediamide
CID 1010966
N-(2-amino-6-chlorophenyl)-2-(4-chlorophenyl)acetamide
CID 62085159
N-(4-chlorophenyl)-3-ethoxypropanamide
CID 2972757
3-(2-aminophenyl)-N-(2,6-dichlorophenyl)propanamide
CID 28714106
N-(2-amino-6-chlorophenyl)-2-(3-methoxyphenyl)acetamide
CID 62085333
N-(2-amino-6-chlorophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91689044
N,N'-bis(2,6-dichlorophenyl)pentanediamide
CID 1291740
3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide
CID 43248841

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide (CID 62590078) is N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide is CCOCCC(=O)Nc1c(N)cccc1Cl.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide?
The InChIKey is KPCNLGRBTLQLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-2-16-7-6-10(15)14-11-8(12)4-3-5-9(11)13/h3-5H,2,6-7,13H2,1H3,(H,14,15).
What are the key properties of N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide?
N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide has a molecular weight of 242.71 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chlorophenyl)-3-ethoxypropanamide is sourced from PubChem (CID 62590078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).