4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide

C14H20ClN3O2 — CID 143275681

IUPAC4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide
SMILES[H]/N=C(\CCC(N)=O)c1ccc(OCCCCN)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c15-11-9-10(12(17)4-6-14(18)19)3-5-13(11)20-8-2-1-7-16/h3,5,9,17H,1-2,4,6-8,16H2,(H2,18,19)/b17-12+
InChIKeyNSPGNDCXGFMNJK-SFQUDFHCSA-N
MW297.79 g/mol
LogP2.09
Rot. Bonds9

About 4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide

4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide (PubChem CID 143275681) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide.

Molecular Properties

Compound Name4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide
PubChem CID143275681
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide
SMILES[H]/N=C(\CCC(N)=O)c1ccc(OCCCCN)c(Cl)c1
InChIInChI=1S/C14H20ClN3O2/c15-11-9-10(12(17)4-6-14(18)19)3-5-13(11)20-8-2-1-7-16/h3,5,9,17H,1-2,4,6-8,16H2,(H2,18,19)/b17-12+
InChIKeyNSPGNDCXGFMNJK-SFQUDFHCSA-N
XLogP2.09
TPSA102.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide 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

[4-amino-1-[4-(3-aminopropoxy)-3-chlorophenyl]-4-oxobutylidene]azanium
CID 159005336
[4-amino-1-[3-chloro-4-(3-diazenylpropoxy)phenyl]-4-oxobutylidene]azanium
CID 143236957
4-[2-(3-amino-3-oxopropyl)sulfonylethoxy]-3-chlorobenzoic acid
CID 61379790
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
3-chloro-4-dodecoxybenzamide
CID 172740881
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402785
3-chloro-4-(3-ethylsulfonylpropoxy)benzenecarboximidamide
CID 65093024
3-(4-bromo-2-chlorophenoxy)propanimidamide
CID 43114303
4-(2-chloro-4-fluorophenoxy)butan-1-amine
CID 60971169
3-chloro-4-(4-methoxybutoxy)benzoic acid
CID 104646800
3-chloro-4-(3-methylbutoxy)benzenecarboximidamide
CID 61388930
3-chloro-4-dodecoxybenzoic acid;hydrochloride
CID 67895180

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide?
The IUPAC name of 4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide (CID 143275681) is 4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide.
What is the SMILES notation for 4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide?
The canonical SMILES for 4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide is [H]/N=C(\CCC(N)=O)c1ccc(OCCCCN)c(Cl)c1.
What is the InChIKey of 4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide?
The InChIKey is NSPGNDCXGFMNJK-SFQUDFHCSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c15-11-9-10(12(17)4-6-14(18)19)3-5-13(11)20-8-2-1-7-16/h3,5,9,17H,1-2,4,6-8,16H2,(H2,18,19)/b17-12+.
What are the key properties of 4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide?
4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide has a molecular weight of 297.79 g/mol, XLogP of 2.09, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminobutoxy)-3-chlorophenyl]-4-iminobutanamide is sourced from PubChem (CID 143275681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).