4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride

C11H16ClFN2O — CID 119280533

IUPAC4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
SMILESCc1cc(NC(=O)CCCN)ccc1F.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-8-7-9(4-5-10(8)12)14-11(15)3-2-6-13;/h4-5,7H,2-3,6,13H2,1H3,(H,14,15);1H
InChIKeyLAZBISJDRADLGQ-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.23
Rot. Bonds4

About 4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride

4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride (PubChem CID 119280533) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is 4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
PubChem CID119280533
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
SMILESCc1cc(NC(=O)CCCN)ccc1F.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-8-7-9(4-5-10(8)12)14-11(15)3-2-6-13;/h4-5,7H,2-3,6,13H2,1H3,(H,14,15);1H
InChIKeyLAZBISJDRADLGQ-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 75530834
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6-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 24704997
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
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5-(4-aminobutanoylamino)-2-fluorobenzoic acid
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5-(4-aminobutanoylamino)-2-fluorobenzamide
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N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527
4-(4-aminobutanoylamino)-N,N,2-trimethylbenzamide
CID 119332645
3-amino-N-(4-fluoro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 76949808
4-amino-N-[4-(propanoylamino)phenyl]butanamide;hydrochloride
CID 119296184
7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride (CID 119280533) is 4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride is Cc1cc(NC(=O)CCCN)ccc1F.Cl.
What is the InChIKey of 4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride?
The InChIKey is LAZBISJDRADLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O.ClH/c1-8-7-9(4-5-10(8)12)14-11(15)3-2-6-13;/h4-5,7H,2-3,6,13H2,1H3,(H,14,15);1H.
What are the key properties of 4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride?
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride has a molecular weight of 246.71 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119280533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).