N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide

C13H19ClN2O2 — CID 54943567

IUPACN-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide
SMILESCCC(C)OC(C)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-4-8(2)18-9(3)13(17)16-12-6-5-10(15)7-11(12)14/h5-9H,4,15H2,1-3H3,(H,16,17)
InChIKeyULAMMQUOPGFQDB-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.06
Rot. Bonds5

About N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide

N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide (PubChem CID 54943567) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide
PubChem CID54943567
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC NameN-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide
SMILESCCC(C)OC(C)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-4-8(2)18-9(3)13(17)16-12-6-5-10(15)7-11(12)14/h5-9H,4,15H2,1-3H3,(H,16,17)
InChIKeyULAMMQUOPGFQDB-UHFFFAOYSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.06
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-methoxypropanamide
CID 16788780
N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686885
N-(4-amino-2-chlorophenyl)-2-(2-butoxyethoxy)propanamide
CID 43127117
N-(4-amino-2-chlorophenyl)-2-[2-(2-methylpropoxy)ethoxy]propanamide
CID 106447019
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenoxy)propanamide
CID 43078576
N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
CID 43382322
N-(4-amino-2-chlorophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 110209226
N-(4-amino-2-chlorophenyl)-2-(3-chlorophenoxy)propanamide
CID 43081960
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-2,6-dichlorophenyl)-2-(4-methylpentan-2-yloxy)propanamide
CID 60725471
ethyl 2-[1-(4-amino-2-chloroanilino)-1-oxopropan-2-yl]sulfanylacetate
CID 43618307

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide (CID 54943567) is N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide is CCC(C)OC(C)C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide?
The InChIKey is ULAMMQUOPGFQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-8(2)18-9(3)13(17)16-12-6-5-10(15)7-11(12)14/h5-9H,4,15H2,1-3H3,(H,16,17).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide?
N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide has a molecular weight of 270.76 g/mol, XLogP of 3.06, 5 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-butan-2-yloxypropanamide is sourced from PubChem (CID 54943567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).