N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride

C14H22ClFN2O — CID 119506390

IUPACN-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
SMILESCCNCCNC(=O)CC(C)c1cccc(F)c1.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-3-16-7-8-17-14(18)9-11(2)12-5-4-6-13(15)10-12;/h4-6,10-11,16H,3,7-9H2,1-2H3,(H,17,18);1H
InChIKeyJFGJYGRTDGTMNF-UHFFFAOYSA-N
MW288.79 g/mol
LogP2.47
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride

N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride (PubChem CID 119506390) has the molecular formula C14H22ClFN2O and a molecular weight of 288.79 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
PubChem CID119506390
Molecular FormulaC14H22ClFN2O
Molecular Weight288.79 g/mol
Exact Mass288.14
IUPAC NameN-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride
SMILESCCNCCNC(=O)CC(C)c1cccc(F)c1.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-3-16-7-8-17-14(18)9-11(2)12-5-4-6-13(15)10-12;/h4-6,10-11,16H,3,7-9H2,1-2H3,(H,17,18);1H
InChIKeyJFGJYGRTDGTMNF-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-fluorophenyl)-N-[2-(methylamino)ethyl]butanamide
CID 119501543
N-[2-(ethylamino)ethyl]-3-(3-methoxyphenyl)butanamide
CID 119508296
N-(2-amino-2-ethylbutyl)-3-(3-fluorophenyl)butanamide;hydrochloride
CID 119641244
N-[2-(4-aminophenyl)ethyl]-3-(3-fluorophenyl)butanamide
CID 119548314
N-[2-(ethylamino)ethyl]-3-(4-propan-2-ylphenyl)butanamide
CID 119505694
N-[2-(ethylamino)ethyl]-3,3-diphenylpropanamide;hydrochloride
CID 119508377
2-[3-(3-fluorophenyl)butanoylamino]butanoic acid
CID 119223317
(3S)-3-(3-fluorophenyl)-N-[2-(2-oxo-1-pyridinyl)ethyl]butanamide
CID 97317190
N-[3-[4-(dimethylamino)phenyl]propyl]-3-(3-fluorophenyl)butanamide
CID 86961979
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
3-(3-fluorophenyl)-N-[(1-hydroxycyclohexyl)methyl]butanamide
CID 111485734
3-(3-fluorophenyl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119556662

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride (CID 119506390) is N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride is CCNCCNC(=O)CC(C)c1cccc(F)c1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride?
The InChIKey is JFGJYGRTDGTMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O.ClH/c1-3-16-7-8-17-14(18)9-11(2)12-5-4-6-13(15)10-12;/h4-6,10-11,16H,3,7-9H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride has a molecular weight of 288.79 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-(3-fluorophenyl)butanamide;hydrochloride is sourced from PubChem (CID 119506390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).