4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride

C12H18ClFN2O — CID 119267070

IUPAC4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
SMILESCN(Cc1cccc(F)c1)C(=O)CCCN.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-15(12(16)6-3-7-14)9-10-4-2-5-11(13)8-10;/h2,4-5,8H,3,6-7,9,14H2,1H3;1H
InChIKeyHZGSINHYHQWPLI-UHFFFAOYSA-N
MW260.74 g/mol
LogP1.94
Rot. Bonds5

About 4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride

4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride (PubChem CID 119267070) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is 4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
PubChem CID119267070
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC Name4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride
SMILESCN(Cc1cccc(F)c1)C(=O)CCCN.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-15(12(16)6-3-7-14)9-10-4-2-5-11(13)8-10;/h2,4-5,8H,3,6-7,9,14H2,1H3;1H
InChIKeyHZGSINHYHQWPLI-UHFFFAOYSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(3-fluorophenyl)methyl]-N-methylpentanamide
CID 28971589
4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119297081
N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 86975850
N-[(3-fluorophenyl)methyl]-N-methyl-3-methylsulfonylpropanamide
CID 78851523
3-amino-N-[(3-fluorophenyl)methyl]-N-methyl-3-sulfanylidenepropanamide
CID 28942552
3-(2-aminophenyl)-N-[(3-fluorophenyl)methyl]-N-methylpropanamide
CID 43309193
N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 60636361
3-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 39242618
2-amino-N-[(3-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 43211988
2-amino-2-ethyl-N-[(3-fluorophenyl)methyl]-N-methylbutanamide
CID 79810018
3-amino-N-[(3-fluorophenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111202
2-tert-butylsulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 86975849

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride (CID 119267070) is 4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride is CN(Cc1cccc(F)c1)C(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride?
The InChIKey is HZGSINHYHQWPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O.ClH/c1-15(12(16)6-3-7-14)9-10-4-2-5-11(13)8-10;/h2,4-5,8H,3,6-7,9,14H2,1H3;1H.
What are the key properties of 4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride?
4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride has a molecular weight of 260.74 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-fluorophenyl)methyl]-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119267070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).