7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride

C17H28Cl3N3O2 — CID 119840505

IUPAC7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C17H26ClN3O2.2ClH/c18-14-6-5-7-15(17(14)21-10-12-23-13-11-21)20-16(22)8-3-1-2-4-9-19;;/h5-7H,1-4,8-13,19H2,(H,20,22);2*1H
InChIKeyVZWXQZKYWSVUHU-UHFFFAOYSA-N
MW412.79 g/mol
LogP3.87
Rot. Bonds8

About 7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride

7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride (PubChem CID 119840505) has the molecular formula C17H28Cl3N3O2 and a molecular weight of 412.79 g/mol. Its IUPAC name is 7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride
PubChem CID119840505
Molecular FormulaC17H28Cl3N3O2
Molecular Weight412.79 g/mol
Exact Mass411.12
IUPAC Name7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)Nc1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C17H26ClN3O2.2ClH/c18-14-6-5-7-15(17(14)21-10-12-23-13-11-21)20-16(22)8-3-1-2-4-9-19;;/h5-7H,1-4,8-13,19H2,(H,20,22);2*1H
InChIKeyVZWXQZKYWSVUHU-UHFFFAOYSA-N
XLogP3.87
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.79
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride 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

6-amino-N-(2-morpholin-4-ylphenyl)hexanamide
CID 43708115
4-amino-N-(3-chloro-2-morpholin-4-ylphenyl)-3-methoxybutanamide;dihydrochloride
CID 120595047
N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2-ethoxyphenoxy)butanamide
CID 41270735
2-(6-aminohexanoylamino)-6-chlorobenzoic acid
CID 63724633
4-amino-N-(2-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119845870
7-amino-N-[2-(morpholine-4-carbonyl)phenyl]heptanamide
CID 119703947
N-(3-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylacetamide
CID 18141754
6-amino-N-(3-chloro-2-methylphenyl)hexanamide
CID 24711595
N-(3-chloro-2-morpholin-4-ylphenyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 41270500
N-(3-chloro-2-morpholin-4-ylphenyl)-3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 41270984
5-amino-N-(2-bromo-3-chlorophenyl)pentanamide
CID 103479361
N-(3-chloro-2-morpholin-4-ylphenyl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 41270775

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride (CID 119840505) is 7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride is Cl.Cl.NCCCCCCC(=O)Nc1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of 7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride?
The InChIKey is VZWXQZKYWSVUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2.2ClH/c18-14-6-5-7-15(17(14)21-10-12-23-13-11-21)20-16(22)8-3-1-2-4-9-19;;/h5-7H,1-4,8-13,19H2,(H,20,22);2*1H.
What are the key properties of 7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride?
7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride has a molecular weight of 412.79 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(3-chloro-2-morpholin-4-ylphenyl)heptanamide;dihydrochloride is sourced from PubChem (CID 119840505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).