N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride

C19H24ClFN2O3 — CID 119751510

IUPACN-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC.Cl
InChIInChI=1S/C19H23FN2O3.ClH/c1-13-6-8-17(18(11-13)24-3)25-16-9-7-14(20)12-15(16)22-19(23)5-4-10-21-2;/h6-9,11-12,21H,4-5,10H2,1-3H3,(H,22,23);1H
InChIKeyQGNZMGRGTHAXHQ-UHFFFAOYSA-N
MW382.86 g/mol
LogP4.29
Rot. Bonds8

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

N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119751510) has the molecular formula C19H24ClFN2O3 and a molecular weight of 382.86 g/mol. Its IUPAC name is N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119751510
Molecular FormulaC19H24ClFN2O3
Molecular Weight382.86 g/mol
Exact Mass382.15
IUPAC NameN-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC.Cl
InChIInChI=1S/C19H23FN2O3.ClH/c1-13-6-8-17(18(11-13)24-3)25-16-9-7-14(20)12-15(16)22-19(23)5-4-10-21-2;/h6-9,11-12,21H,4-5,10H2,1-3H3,(H,22,23);1H
InChIKeyQGNZMGRGTHAXHQ-UHFFFAOYSA-N
XLogP4.29
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.86
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide;hydrochloride
CID 120561352
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119751526
4-(methylamino)-N-(2,4,5-trimethoxyphenyl)butanamide;hydrochloride
CID 119808116
N,N'-bis(2-methoxy-5-methylphenyl)pentanediamide
CID 5142107
N-(5-acetamido-2-methoxyphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119680210
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119304876
2-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]pentanamide
CID 119304879
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
N-(4-chloro-2,5-dimethoxyphenyl)-4-(methylamino)butanamide
CID 54924434
methyl 4-(5-fluoro-2-methoxyanilino)-4-oxobutanoate
CID 110776545
3-amino-N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119751512
methyl 4,5-dimethoxy-2-[4-(methylamino)butanoylamino]benzoate;hydrochloride
CID 119677751

Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride (CID 119751510) is N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)Nc1cc(F)ccc1Oc1ccc(C)cc1OC.Cl.
What is the InChIKey of N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is QGNZMGRGTHAXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3.ClH/c1-13-6-8-17(18(11-13)24-3)25-16-9-7-14(20)12-15(16)22-19(23)5-4-10-21-2;/h6-9,11-12,21H,4-5,10H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride?
N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 382.86 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(2-methoxy-4-methylphenoxy)phenyl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119751510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).