7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride

C15H26Cl3N3O — CID 119858077

IUPAC7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CCCCCCN.Cl.Cl
InChIInChI=1S/C15H24ClN3O.2ClH/c1-19(2)14-9-8-12(16)11-13(14)18-15(20)7-5-3-4-6-10-17;;/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20);2*1H
InChIKeyUYKOFXBGBHLVMC-UHFFFAOYSA-N
MW370.75 g/mol
LogP4.10
Rot. Bonds8

About 7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride

7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride (PubChem CID 119858077) has the molecular formula C15H26Cl3N3O and a molecular weight of 370.75 g/mol. Its IUPAC name is 7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride
PubChem CID119858077
Molecular FormulaC15H26Cl3N3O
Molecular Weight370.75 g/mol
Exact Mass369.11
IUPAC Name7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride
SMILESCN(C)c1ccc(Cl)cc1NC(=O)CCCCCCN.Cl.Cl
InChIInChI=1S/C15H24ClN3O.2ClH/c1-19(2)14-9-8-12(16)11-13(14)18-15(20)7-5-3-4-6-10-17;;/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20);2*1H
InChIKeyUYKOFXBGBHLVMC-UHFFFAOYSA-N
XLogP4.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.75
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 3710309
N-[5-chloro-2-(dimethylamino)phenyl]-4-hydroxypentanamide
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6-amino-N-(2-bromo-4-chlorophenyl)hexanamide
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N-[5-chloro-2-(dimethylamino)phenyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 78778183
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2,2-dimethylpropanamide
CID 113307543
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-2-methylpropanamide
CID 55104508
N-[5-chloro-2-(dimethylamino)phenyl]-2-propan-2-yloxyacetamide
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N-[5-chloro-2-(dimethylamino)phenyl]-2-(N-methylanilino)acetamide
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N-(5-acetamido-2-chlorophenyl)-7-aminoheptanamide;hydrochloride
CID 119707605

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride (CID 119858077) is 7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride is CN(C)c1ccc(Cl)cc1NC(=O)CCCCCCN.Cl.Cl.
What is the InChIKey of 7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride?
The InChIKey is UYKOFXBGBHLVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O.2ClH/c1-19(2)14-9-8-12(16)11-13(14)18-15(20)7-5-3-4-6-10-17;;/h8-9,11H,3-7,10,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride?
7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride has a molecular weight of 370.75 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[5-chloro-2-(dimethylamino)phenyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119858077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).