4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride

C16H20Cl2FN3O2 — CID 119898314

IUPAC4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)Nc1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C16H18FN3O2.2ClH/c17-14-10-12(20-16(21)5-3-8-18)6-7-15(14)22-11-13-4-1-2-9-19-13;;/h1-2,4,6-7,9-10H,3,5,8,11,18H2,(H,20,21);2*1H
InChIKeyIVUVVNURBUULBL-UHFFFAOYSA-N
MW376.26 g/mol
LogP3.32
Rot. Bonds7

About 4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride

4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride (PubChem CID 119898314) has the molecular formula C16H20Cl2FN3O2 and a molecular weight of 376.26 g/mol. Its IUPAC name is 4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride
PubChem CID119898314
Molecular FormulaC16H20Cl2FN3O2
Molecular Weight376.26 g/mol
Exact Mass375.09
IUPAC Name4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)Nc1ccc(OCc2ccccn2)c(F)c1
InChIInChI=1S/C16H18FN3O2.2ClH/c17-14-10-12(20-16(21)5-3-8-18)6-7-15(14)22-11-13-4-1-2-9-19-13;;/h1-2,4,6-7,9-10H,3,5,8,11,18H2,(H,20,21);2*1H
InChIKeyIVUVVNURBUULBL-UHFFFAOYSA-N
XLogP3.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 168523388
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119898304
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166253172
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119898305
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CID 142684298
4-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086111
2-[3-fluoro-4-(pyridin-2-ylmethoxy)anilino]ethene-1,1,2-tricarbonitrile
CID 168609787
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 71865991
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119898286
3-amino-N-(4-ethoxy-3-fluorophenyl)propanamide
CID 96672740
3-fluoro-4-(pyridin-2-ylmethoxy)aniline;dihydrochloride
CID 75530160
1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086116

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride (CID 119898314) is 4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride is Cl.Cl.NCCCC(=O)Nc1ccc(OCc2ccccn2)c(F)c1.
What is the InChIKey of 4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride?
The InChIKey is IVUVVNURBUULBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2.2ClH/c17-14-10-12(20-16(21)5-3-8-18)6-7-15(14)22-11-13-4-1-2-9-19-13;;/h1-2,4,6-7,9-10H,3,5,8,11,18H2,(H,20,21);2*1H.
What are the key properties of 4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride?
4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride has a molecular weight of 376.26 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 119898314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).