N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride

C15H25Cl2F2N3O — CID 119889365

IUPACN-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCC(c1c(F)cccc1F)N(C)C.Cl.Cl
InChIInChI=1S/C15H23F2N3O.2ClH/c1-18-9-5-8-14(21)19-10-13(20(2)3)15-11(16)6-4-7-12(15)17;;/h4,6-7,13,18H,5,8-10H2,1-3H3,(H,19,21);2*1H
InChIKeyKXSKAWZMQGSEAT-UHFFFAOYSA-N
MW372.29 g/mol
LogP2.53
Rot. Bonds8

About N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride

N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride (PubChem CID 119889365) has the molecular formula C15H25Cl2F2N3O and a molecular weight of 372.29 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride
PubChem CID119889365
Molecular FormulaC15H25Cl2F2N3O
Molecular Weight372.29 g/mol
Exact Mass371.13
IUPAC NameN-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCC(c1c(F)cccc1F)N(C)C.Cl.Cl
InChIInChI=1S/C15H23F2N3O.2ClH/c1-18-9-5-8-14(21)19-10-13(20(2)3)15-11(16)6-4-7-12(15)17;;/h4,6-7,13,18H,5,8-10H2,1-3H3,(H,19,21);2*1H
InChIKeyKXSKAWZMQGSEAT-UHFFFAOYSA-N
XLogP2.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 52.53
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

N-[2-(diethylamino)-2-phenylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119399175
3-amino-N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953969
N-[2-(2-fluorophenoxy)butyl]-4-(methylamino)butanamide;hydrochloride
CID 119813320
N-[(2-fluorophenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119679682
N-[2-(2-fluorophenyl)-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119766073
N-[(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 95345765
N-[2-(3-fluorophenoxy)propyl]-4-(methylamino)butanamide
CID 119804736
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119889405
N-[2-(2-chloro-6-fluorophenyl)-2-(2-methylmorpholin-4-yl)ethyl]-4-(methylamino)butanamide
CID 119849366
7-amino-N-[2-(dimethylamino)-2-phenylethyl]heptanamide;dihydrochloride
CID 119828718
N-[2-(dimethylamino)ethyl]-3-[[4-(methylamino)butanoylamino]methyl]benzamide;dihydrochloride
CID 119867704
1-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111794045

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride?
The IUPAC name of N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride (CID 119889365) is N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride is CNCCCC(=O)NCC(c1c(F)cccc1F)N(C)C.Cl.Cl.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride?
The InChIKey is KXSKAWZMQGSEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O.2ClH/c1-18-9-5-8-14(21)19-10-13(20(2)3)15-11(16)6-4-7-12(15)17;;/h4,6-7,13,18H,5,8-10H2,1-3H3,(H,19,21);2*1H.
What are the key properties of N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride?
N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride has a molecular weight of 372.29 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)-2-(dimethylamino)ethyl]-4-(methylamino)butanamide;dihydrochloride is sourced from PubChem (CID 119889365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).