N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide

C17H19FN2O2 — CID 67302905

IUPACN-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(Oc2ccc(F)nc2)cc1
InChIInChI=1S/C17H19FN2O2/c1-12(20-13(2)21)3-4-14-5-7-15(8-6-14)22-16-9-10-17(18)19-11-16/h5-12H,3-4H2,1-2H3,(H,20,21)
InChIKeyRQDLGRLNNXGSAV-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.47
Rot. Bonds6

About N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide

N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide (PubChem CID 67302905) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
PubChem CID67302905
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C)CCc1ccc(Oc2ccc(F)nc2)cc1
InChIInChI=1S/C17H19FN2O2/c1-12(20-13(2)21)3-4-14-5-7-15(8-6-14)22-16-9-10-17(18)19-11-16/h5-12H,3-4H2,1-2H3,(H,20,21)
InChIKeyRQDLGRLNNXGSAV-UHFFFAOYSA-N
XLogP3.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-fluoro-3-pyridinyl)oxy]-N-pentan-2-ylpropanamide
CID 113296486
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide
CID 144549853
4-[3-[(6-fluoro-3-pyridinyl)amino]butyl]phenol
CID 104862516
N-[4-(4-hydroxyphenyl)butan-2-yl]acetamide;N-[4-[4-[[5-(oxolan-3-yloxy)-2-pyridinyl]oxy]phenyl]butan-2-yl]acetamide
CID 67071747
N-[(2S)-4-[4-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750846
N-[4-[4-(2-chloroacetyl)phenyl]butan-2-yl]acetamide
CID 4962168
2-amino-6-fluoro-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843134
(3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide
CID 140565587
5-[4-(4-methoxyphenyl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120684984
N-[1-[4-(4-propan-2-yloxyphenoxy)phenoxy]propan-2-yl]acetamide;N-[(2S)-1-[4-(4-propan-2-yloxyphenoxy)phenoxy]propan-2-yl]acetamide;sulfane
CID 159823460
6-[4-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]phenyl]-4-methylhexan-2-one
CID 58369078

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The IUPAC name of N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide (CID 67302905) is N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The canonical SMILES for N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide is CC(=O)NC(C)CCc1ccc(Oc2ccc(F)nc2)cc1.
What is the InChIKey of N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
The InChIKey is RQDLGRLNNXGSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12(20-13(2)21)3-4-14-5-7-15(8-6-14)22-16-9-10-17(18)19-11-16/h5-12H,3-4H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide?
N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide has a molecular weight of 302.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide is sourced from PubChem (CID 67302905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).