N-(4-amino-2-chlorophenyl)-2-methoxypropanamide

C10H13ClN2O2 — CID 16788780

IUPACN-(4-amino-2-chlorophenyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-6(15-2)10(14)13-9-4-3-7(12)5-8(9)11/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyRDXQZPBWKQCNJY-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.90
Rot. Bonds3

About N-(4-amino-2-chlorophenyl)-2-methoxypropanamide

N-(4-amino-2-chlorophenyl)-2-methoxypropanamide (PubChem CID 16788780) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-methoxypropanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-methoxypropanamide
PubChem CID16788780
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC NameN-(4-amino-2-chlorophenyl)-2-methoxypropanamide
SMILESCOC(C)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C10H13ClN2O2/c1-6(15-2)10(14)13-9-4-3-7(12)5-8(9)11/h3-6H,12H2,1-2H3,(H,13,14)
InChIKeyRDXQZPBWKQCNJY-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-(4-chlorophenoxy)propanamide
CID 43078576
N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide
CID 54943567
N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 110209226
N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 43081960
N-(4-amino-2,6-dichlorophenyl)-2-methoxypropanamide
CID 16782940
N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686885
N-(4-amino-2-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide
CID 106447019
N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127117
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224762
methyl 2-[1-(4-amino-2-chloroanilino)-1-oxopropan-2-yl]sulfonylacetate
CID 43618134
N-(4-amino-2-chlorophenyl)-2-(cyclohexylmethoxy)propanamide
CID 62382552
N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
CID 43382322

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-methoxypropanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-methoxypropanamide (CID 16788780) is N-(4-amino-2-chlorophenyl)-2-methoxypropanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-methoxypropanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-methoxypropanamide is COC(C)C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-methoxypropanamide?
The InChIKey is RDXQZPBWKQCNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6(15-2)10(14)13-9-4-3-7(12)5-8(9)11/h3-6H,12H2,1-2H3,(H,13,14).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-methoxypropanamide?
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide has a molecular weight of 228.68 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-methoxypropanamide is sourced from PubChem (CID 16788780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).