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

C14H19ClN2O2 — CID 62116153

IUPACN-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
SMILESNc1ccc(NC(=O)CCCOC2CCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-12-9-10(16)6-7-13(12)17-14(18)5-2-8-19-11-3-1-4-11/h6-7,9,11H,1-5,8,16H2,(H,17,18)
InChIKeyXNSQZRUKJNBJKN-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.21
Rot. Bonds6

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

N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide (PubChem CID 62116153) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
PubChem CID62116153
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC NameN-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
SMILESNc1ccc(NC(=O)CCCOC2CCC2)c(Cl)c1
InChIInChI=1S/C14H19ClN2O2/c15-12-9-10(16)6-7-13(12)17-14(18)5-2-8-19-11-3-1-4-11/h6-7,9,11H,1-5,8,16H2,(H,17,18)
InChIKeyXNSQZRUKJNBJKN-UHFFFAOYSA-N
XLogP3.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.21
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'}

Analyze N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-amino-4-chlorophenyl)-4-cyclohexyloxybutanamide
CID 28549857
N-(3-aminophenyl)-4-cyclobutyloxybutanamide
CID 62116624
N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
CID 28995617
N-(5-amino-2-methylphenyl)-3-cyclobutyloxypropanamide
CID 62116315
N-(2-amino-4-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16794047
N-(4-amino-2-chlorophenyl)-4-pyrrolidin-1-ylbutanamide
CID 16778868
N-(3-amino-2-methylphenyl)-4-cyclopentyloxybutanamide
CID 16791407
N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
CID 102860273
N-(4-amino-2-methoxyphenyl)-4-(oxolan-3-yloxy)butanamide
CID 63557411
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
N-(2-amino-5-chlorophenyl)-3-cyclopentyloxypropanamide
CID 16792672
N-(2-amino-4-chlorophenyl)-4-(oxolan-3-yloxy)butanamide
CID 63556620

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide (CID 62116153) is N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide is Nc1ccc(NC(=O)CCCOC2CCC2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide?
The InChIKey is XNSQZRUKJNBJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c15-12-9-10(16)6-7-13(12)17-14(18)5-2-8-19-11-3-1-4-11/h6-7,9,11H,1-5,8,16H2,(H,17,18).
What are the key properties of N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide?
N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide has a molecular weight of 282.77 g/mol, XLogP of 3.21, 6 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)-4-cyclobutyloxybutanamide is sourced from PubChem (CID 62116153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).