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

C11H16ClFN2O — CID 119279529

IUPAC4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCc1cccc(F)c1
InChIInChI=1S/C11H15FN2O.ClH/c12-10-4-1-3-9(7-10)8-14-11(15)5-2-6-13;/h1,3-4,7H,2,5-6,8,13H2,(H,14,15);1H
InChIKeyZQUYPXMHQXOCAS-UHFFFAOYSA-N
MW246.71 g/mol
LogP1.60
Rot. Bonds5

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

4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride (PubChem CID 119279529) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is 4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
PubChem CID119279529
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
SMILESCl.NCCCC(=O)NCc1cccc(F)c1
InChIInChI=1S/C11H15FN2O.ClH/c12-10-4-1-3-9(7-10)8-14-11(15)5-2-6-13;/h1,3-4,7H,2,5-6,8,13H2,(H,14,15);1H
InChIKeyZQUYPXMHQXOCAS-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]butanamide
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4-[(3-fluorophenyl)methylamino]-4-oxobutanoic acid
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3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
4-amino-N-[(3-chloro-4-fluorophenyl)methyl]butanamide
CID 62538443
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
4-amino-N-[(3-pyridin-4-ylphenyl)methyl]butanamide
CID 110460835
4-amino-N-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119870371
2-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]acetamide
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CID 63324328

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride (CID 119279529) is 4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride is Cl.NCCCC(=O)NCc1cccc(F)c1.
What is the InChIKey of 4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride?
The InChIKey is ZQUYPXMHQXOCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O.ClH/c12-10-4-1-3-9(7-10)8-14-11(15)5-2-6-13;/h1,3-4,7H,2,5-6,8,13H2,(H,14,15);1H.
What are the key properties of 4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride?
4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride has a molecular weight of 246.71 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride is sourced from PubChem (CID 119279529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).