N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

C26H26BrFN2O5 — CID 144580077

IUPACN-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCCCc1ccc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C26H26BrFN2O5/c1-3-4-16-6-9-21(30-25(16)17-5-8-20(28)19(27)13-17)22(32)15-29-26(33)18-7-10-23(35-12-11-31)24(14-18)34-2/h5-10,13-14,31H,3-4,11-12,15H2,1-2H3,(H,29,33)
InChIKeyYQNGDPBVEDDYPL-UHFFFAOYSA-N
MW545.41 g/mol
LogP4.60
Rot. Bonds11

About N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 144580077) has the molecular formula C26H26BrFN2O5 and a molecular weight of 545.41 g/mol. Its IUPAC name is N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
PubChem CID144580077
Molecular FormulaC26H26BrFN2O5
Molecular Weight545.41 g/mol
Exact Mass544.10
IUPAC NameN-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCCCc1ccc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc1-c1ccc(F)c(Br)c1
InChIInChI=1S/C26H26BrFN2O5/c1-3-4-16-6-9-21(30-25(16)17-5-8-20(28)19(27)13-17)22(32)15-29-26(33)18-7-10-23(35-12-11-31)24(14-18)34-2/h5-10,13-14,31H,3-4,11-12,15H2,1-2H3,(H,29,33)
InChIKeyYQNGDPBVEDDYPL-UHFFFAOYSA-N
XLogP4.60
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.41
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide with MolForge

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Related Compounds

N-[2-[6-[4-fluoro-3-(fluoromethyl)phenyl]-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061507
N-[2-[6-(2,4-difluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061780
N-[2-[6-[4-chloro-3-(trifluoromethyl)phenyl]-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90062220
N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061868
ethanol;N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 144580179
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-(methoxymethyl)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061983
N-[2-[6-(4-fluoro-3-methylphenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxypropoxy)-3-methoxybenzamide
CID 131981947
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2,2-difluoroethoxy)-3-methoxybenzamide
CID 90062071
N-[2-[6-(7-fluoro-1-benzothiophen-3-yl)-5-(trifluoromethoxy)-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061911
1-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-5-(methoxymethyl)-2-pyridinyl]-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]butane-1,4-dione
CID 159945052
4-(2-amino-2-oxoethoxy)-N-[2-[6-(3-bromo-4-fluorophenyl)-5-methoxy-2-pyridinyl]ethyl]-3-methoxybenzamide
CID 123937545
4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]-2-oxoethyl]benzamide
CID 159156353

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The IUPAC name of N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 144580077) is N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is CCCc1ccc(C(=O)CNC(=O)c2ccc(OCCO)c(OC)c2)nc1-c1ccc(F)c(Br)c1.
What is the InChIKey of N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The InChIKey is YQNGDPBVEDDYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrFN2O5/c1-3-4-16-6-9-21(30-25(16)17-5-8-20(28)19(27)13-17)22(32)15-29-26(33)18-7-10-23(35-12-11-31)24(14-18)34-2/h5-10,13-14,31H,3-4,11-12,15H2,1-2H3,(H,29,33).
What are the key properties of N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?
N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide has a molecular weight of 545.41 g/mol, XLogP of 4.60, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(3-bromo-4-fluorophenyl)-5-propyl-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is sourced from PubChem (CID 144580077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).