N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide

C17H15Cl2FN2O3S — CID 23204625

IUPACN-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(SCF)c(OC2CCOC2)c1
InChIInChI=1S/C17H15Cl2FN2O3S/c18-12-6-21-7-13(19)16(12)22-17(23)10-1-2-15(26-9-20)14(5-10)25-11-3-4-24-8-11/h1-2,5-7,11H,3-4,8-9H2,(H,21,22,23)
InChIKeyLCHLTLQNPGDAIP-UHFFFAOYSA-N
MW417.29 g/mol
LogP4.83
Rot. Bonds6

About N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide

N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide (PubChem CID 23204625) has the molecular formula C17H15Cl2FN2O3S and a molecular weight of 417.29 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide
PubChem CID23204625
Molecular FormulaC17H15Cl2FN2O3S
Molecular Weight417.29 g/mol
Exact Mass416.02
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide
SMILESO=C(Nc1c(Cl)cncc1Cl)c1ccc(SCF)c(OC2CCOC2)c1
InChIInChI=1S/C17H15Cl2FN2O3S/c18-12-6-21-7-13(19)16(12)22-17(23)10-1-2-15(26-9-20)14(5-10)25-11-3-4-24-8-11/h1-2,5-7,11H,3-4,8-9H2,(H,21,22,23)
InChIKeyLCHLTLQNPGDAIP-UHFFFAOYSA-N
XLogP4.83
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,4-dichlorophenyl)ethoxy]-4-(methylsulfanyl)-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 22052452
N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-3-[4-(2-oxooxolan-3-yl)sulfanylbutoxy]benzamide
CID 71254628
N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-3-[3-(2-oxooxolan-3-yl)sulfanylpropoxy]benzamide
CID 71262640
N-(3,5-dichloro-4-pyridinyl)-2-methoxy-4-methylsulfanylbenzamide
CID 2451367
3-(Cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methylbenzamide
CID 24848935
N-(3,5-dichloropyrid-4-yl)-3-cyclopentyloxy-4-(fluoromethylthio)-benzamide
CID 21187859
3-cyclopentyloxy-N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanylbenzamide
CID 21187866
3-cyclopentyloxy-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
CID 21187878
N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)-3-propan-2-yloxybenzamide
CID 21187906
3-cyclopentyloxy-N-(3,5-dichloropyridin-4-yl)-4-(trifluoromethoxy)benzamide
CID 21187907
N-(3,5-dichloropyrid-4-yl)-3-(2-fluorocyclopentyloxy)-4-methoxybenzamide
CID 21187915
N-(3,5-difluoro-4-pyridinyl)-4-methylsulfanyl-3-propan-2-yloxybenzamide
CID 21187937

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide (CID 23204625) is N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide is O=C(Nc1c(Cl)cncc1Cl)c1ccc(SCF)c(OC2CCOC2)c1.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide?
The InChIKey is LCHLTLQNPGDAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O3S/c18-12-6-21-7-13(19)16(12)22-17(23)10-1-2-15(26-9-20)14(5-10)25-11-3-4-24-8-11/h1-2,5-7,11H,3-4,8-9H2,(H,21,22,23).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide?
N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide has a molecular weight of 417.29 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-4-(fluoromethylsulfanyl)-3-(oxolan-3-yloxy)benzamide is sourced from PubChem (CID 23204625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).