4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride

C11H16ClFN2O — CID 119263253

IUPAC4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
SMILESCc1ccc(F)cc1NC(=O)CCCN.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-8-4-5-9(12)7-10(8)14-11(15)3-2-6-13;/h4-5,7H,2-3,6,13H2,1H3,(H,14,15);1H
InChIKeyRZDPAWBUKMWWSU-UHFFFAOYSA-N
MW246.71 g/mol
LogP2.23
Rot. Bonds4

About 4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride

4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride (PubChem CID 119263253) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is 4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
PubChem CID119263253
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
SMILESCc1ccc(F)cc1NC(=O)CCCN.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-8-4-5-9(12)7-10(8)14-11(15)3-2-6-13;/h4-5,7H,2-3,6,13H2,1H3,(H,14,15);1H
InChIKeyRZDPAWBUKMWWSU-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

4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
7-amino-N-(4-fluoro-2-methylphenyl)heptanamide;hydrochloride
CID 119679598
2-amino-N-(5-fluoro-2-methylphenyl)acetamide
CID 24700155
2-(3-aminopropylsulfanyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 66216831
4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119873547
N-[3-(4-aminobutanoylamino)-4-methylphenyl]pentanamide
CID 39193331
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
7-amino-N-(5-amino-2-methylphenyl)heptanamide
CID 122081266
4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide
CID 18226308
N-(5-fluoro-2-methylphenyl)-4-(4-methoxyphenyl)butanamide
CID 798892
4-amino-N-(4-fluoro-3-methylphenyl)butanamide;hydrochloride
CID 119280533

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride (CID 119263253) is 4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride is Cc1ccc(F)cc1NC(=O)CCCN.Cl.
What is the InChIKey of 4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride?
The InChIKey is RZDPAWBUKMWWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O.ClH/c1-8-4-5-9(12)7-10(8)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-(5-fluoro-2-methylphenyl)butanamide;hydrochloride?
4-amino-N-(5-fluoro-2-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-(5-fluoro-2-methylphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119263253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).