N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide

C15H23ClN2O2 — CID 43274939

IUPACN-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
SMILESCCCCCOCCCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H23ClN2O2/c1-2-3-4-9-20-10-5-6-15(19)18-12-7-8-13(16)14(17)11-12/h7-8,11H,2-6,9-10,17H2,1H3,(H,18,19)
InChIKeyUCWPNDJEYQVHAJ-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.85
Rot. Bonds9

About N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide

N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide (PubChem CID 43274939) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
PubChem CID43274939
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(3-amino-4-chlorophenyl)-4-pentoxybutanamide
SMILESCCCCCOCCCC(=O)Nc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H23ClN2O2/c1-2-3-4-9-20-10-5-6-15(19)18-12-7-8-13(16)14(17)11-12/h7-8,11H,2-6,9-10,17H2,1H3,(H,18,19)
InChIKeyUCWPNDJEYQVHAJ-UHFFFAOYSA-N
XLogP3.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.85
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

N-(3-amino-4-chlorophenyl)-4-(2-propoxyethoxy)butanamide
CID 63686148
N-(3-amino-4-chlorophenyl)decanamide
CID 65447970
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626
N-(3-amino-4-chlorophenyl)-3-pentylsulfanylpropanamide
CID 107748453
N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide
CID 66234466
N-(4-amino-2-chlorophenyl)-4-hexoxybutanamide
CID 28995617
N-(3-amino-4-chlorophenyl)-4-propylsulfonylbutanamide
CID 43444857
N-(3-aminophenyl)-3-hexoxypropanamide
CID 28995658
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(3-amino-4-chlorophenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272519
N-(3-amino-4-methoxyphenyl)octanamide
CID 43599945
N-(3-amino-4-methoxyphenyl)octadecanamide
CID 11361725

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide (CID 43274939) is N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide is CCCCCOCCCC(=O)Nc1ccc(Cl)c(N)c1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide?
The InChIKey is UCWPNDJEYQVHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-2-3-4-9-20-10-5-6-15(19)18-12-7-8-13(16)14(17)11-12/h7-8,11H,2-6,9-10,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide?
N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide has a molecular weight of 298.81 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-4-pentoxybutanamide is sourced from PubChem (CID 43274939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).