3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride

C11H16ClFN2O2 — CID 119788930

IUPAC3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1ccc(F)c(NC(=O)CC(C)N)c1.Cl
InChIInChI=1S/C11H15FN2O2.ClH/c1-7(13)5-11(15)14-10-6-8(16-2)3-4-9(10)12;/h3-4,6-7H,5,13H2,1-2H3,(H,14,15);1H
InChIKeyLDXYJVIOTUXMSA-UHFFFAOYSA-N
MW262.71 g/mol
LogP1.93
Rot. Bonds4

About 3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride

3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride (PubChem CID 119788930) has the molecular formula C11H16ClFN2O2 and a molecular weight of 262.71 g/mol. Its IUPAC name is 3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride
PubChem CID119788930
Molecular FormulaC11H16ClFN2O2
Molecular Weight262.71 g/mol
Exact Mass262.09
IUPAC Name3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1ccc(F)c(NC(=O)CC(C)N)c1.Cl
InChIInChI=1S/C11H15FN2O2.ClH/c1-7(13)5-11(15)14-10-6-8(16-2)3-4-9(10)12;/h3-4,6-7H,5,13H2,1-2H3,(H,14,15);1H
InChIKeyLDXYJVIOTUXMSA-UHFFFAOYSA-N
XLogP1.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-fluoro-5-methoxyphenyl)-2-methylbutanamide
CID 113416369
3-amino-N-[(2-fluoro-4-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119802030
3-amino-N-(4-methoxy-2-nitrophenyl)butanamide
CID 60835998
chloromethyl N-(2-fluoro-5-methoxyphenyl)carbamate
CID 164660390
4-(2-fluoro-5-methoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498802
2-amino-N-(2-fluoro-5-methoxyphenyl)-2-thiophen-2-ylacetamide
CID 115287518
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672
3-amino-N-(3-bromo-4-fluorophenyl)butanamide
CID 115738294
3-amino-N-(4-chloro-2-hydroxyphenyl)butanamide;hydrochloride
CID 120873520
1-(aminomethyl)-N-(2-fluoro-5-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119788911
3-amino-N-(2-methoxy-4-methylphenyl)butanamide
CID 60928646
4-[(2-fluoro-5-methoxyphenyl)carbamoylamino]-3-methoxybutanoic acid
CID 103159652

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride (CID 119788930) is 3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride is COc1ccc(F)c(NC(=O)CC(C)N)c1.Cl.
What is the InChIKey of 3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride?
The InChIKey is LDXYJVIOTUXMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2.ClH/c1-7(13)5-11(15)14-10-6-8(16-2)3-4-9(10)12;/h3-4,6-7H,5,13H2,1-2H3,(H,14,15);1H.
What are the key properties of 3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride?
3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride has a molecular weight of 262.71 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluoro-5-methoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119788930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).