4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride

C19H24ClFN2O3 — CID 120561352

IUPAC4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride
SMILESCOc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)CCC(C)N.Cl
InChIInChI=1S/C19H23FN2O3.ClH/c1-12-4-7-17(18(10-12)24-3)25-16-8-6-14(20)11-15(16)22-19(23)9-5-13(2)21;/h4,6-8,10-11,13H,5,9,21H2,1-3H3,(H,22,23);1H
InChIKeyLYSZBVGUTXKZMJ-UHFFFAOYSA-N
MW382.86 g/mol
LogP4.42
Rot. Bonds7

About 4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride

4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride (PubChem CID 120561352) has the molecular formula C19H24ClFN2O3 and a molecular weight of 382.86 g/mol. Its IUPAC name is 4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride
PubChem CID120561352
Molecular FormulaC19H24ClFN2O3
Molecular Weight382.86 g/mol
Exact Mass382.15
IUPAC Name4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride
SMILESCOc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)CCC(C)N.Cl
InChIInChI=1S/C19H23FN2O3.ClH/c1-12-4-7-17(18(10-12)24-3)25-16-8-6-14(20)11-15(16)22-19(23)9-5-13(2)21;/h4,6-8,10-11,13H,5,9,21H2,1-3H3,(H,22,23);1H
InChIKeyLYSZBVGUTXKZMJ-UHFFFAOYSA-N
XLogP4.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119751510
2-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide
CID 119304879
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 120561553
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119751526
4-amino-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]pentanamide
CID 120561554
4-amino-N-[5-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120559676
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119304876
3-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119751512
(2S,5R)-5-(aminomethyl)-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]oxolane-2-carboxamide;hydrochloride
CID 120789983
4-amino-N-[2-(3-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120558964
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride (CID 120561352) is 4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride is COc1cc(C)ccc1Oc1ccc(F)cc1NC(=O)CCC(C)N.Cl.
What is the InChIKey of 4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride?
The InChIKey is LYSZBVGUTXKZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3.ClH/c1-12-4-7-17(18(10-12)24-3)25-16-8-6-14(20)11-15(16)22-19(23)9-5-13(2)21;/h4,6-8,10-11,13H,5,9,21H2,1-3H3,(H,22,23);1H.
What are the key properties of 4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride?
4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride has a molecular weight of 382.86 g/mol, XLogP of 4.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120561352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).