N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide

C16H16F2N2O2 — CID 42691212

IUPACN-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Oc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C16H16F2N2O2/c1-10(2)7-15(21)20-11-3-6-16(19-9-11)22-12-4-5-13(17)14(18)8-12/h3-6,8-10H,7H2,1-2H3,(H,20,21)
InChIKeyBCOFCCZWMWPTQI-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.14
Rot. Bonds5

About N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide

N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide (PubChem CID 42691212) has the molecular formula C16H16F2N2O2 and a molecular weight of 306.31 g/mol. Its IUPAC name is N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide
PubChem CID42691212
Molecular FormulaC16H16F2N2O2
Molecular Weight306.31 g/mol
Exact Mass306.12
IUPAC NameN-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(Oc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C16H16F2N2O2/c1-10(2)7-15(21)20-11-3-6-16(19-9-11)22-12-4-5-13(17)14(18)8-12/h3-6,8-10H,7H2,1-2H3,(H,20,21)
InChIKeyBCOFCCZWMWPTQI-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxybutanamide
CID 110179642
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
4-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methoxybutanamide
CID 120595374
3-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119893847
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119849102
2-amino-N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-methylpentanamide
CID 119849108
(2S)-2-bromo-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
CID 6930724
N-(4-fluoro-3-methylphenyl)-3-methylbutanamide
CID 110776354
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
CID 113019664
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
ethyl N-[6-[4-(ethoxycarbonylamino)phenoxy]-3-pyridinyl]carbamate
CID 110176757
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119849091

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide (CID 42691212) is N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(Oc2ccc(F)c(F)c2)nc1.
What is the InChIKey of N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide?
The InChIKey is BCOFCCZWMWPTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2/c1-10(2)7-15(21)20-11-3-6-16(19-9-11)22-12-4-5-13(17)14(18)8-12/h3-6,8-10H,7H2,1-2H3,(H,20,21).
What are the key properties of N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide?
N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide has a molecular weight of 306.31 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-difluorophenoxy)-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 42691212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).