3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide

C24H24F2N2O2 — CID 45138102

IUPAC3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
SMILESCCC(COC)NC(=O)c1cc(-c2ccc(C)cn2)cc(-c2cccc(F)c2F)c1
InChIInChI=1S/C24H24F2N2O2/c1-4-19(14-30-3)28-24(29)18-11-16(20-6-5-7-21(25)23(20)26)10-17(12-18)22-9-8-15(2)13-27-22/h5-13,19H,4,14H2,1-3H3,(H,28,29)
InChIKeyBGWBNSOBFPLVSH-UHFFFAOYSA-N
MW410.46 g/mol
LogP5.16
Rot. Bonds7

About 3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide

3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide (PubChem CID 45138102) has the molecular formula C24H24F2N2O2 and a molecular weight of 410.46 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
PubChem CID45138102
Molecular FormulaC24H24F2N2O2
Molecular Weight410.46 g/mol
Exact Mass410.18
IUPAC Name3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
SMILESCCC(COC)NC(=O)c1cc(-c2ccc(C)cn2)cc(-c2cccc(F)c2F)c1
InChIInChI=1S/C24H24F2N2O2/c1-4-19(14-30-3)28-24(29)18-11-16(20-6-5-7-21(25)23(20)26)10-17(12-18)22-9-8-15(2)13-27-22/h5-13,19H,4,14H2,1-3H3,(H,28,29)
InChIKeyBGWBNSOBFPLVSH-UHFFFAOYSA-N
XLogP5.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.46
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2,3-difluorophenyl)phenyl]-5-methylpyridine
CID 59294841
3-(2-cyano-3-fluorophenyl)-5-(5-methyl-2-pyridinyl)-N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]benzamide
CID 45137790
3-(2-fluorophenyl)-5-(5-methyl-2-pyridinyl)benzoic acid
CID 68657268
2-[3-[[(2R)-1-methoxybutan-2-yl]carbamoyl]phenyl]benzamide
CID 126426614
3-[2-(methoxymethyl)phenyl]-5-(5-methyl-2-pyridinyl)-N-[1-(2-methylpyrimidin-5-yl)ethyl]benzamide
CID 75095972
2-fluoro-N-(1-methoxybutan-2-yl)-4-methylbenzamide
CID 79796029
N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 40538172
methyl 3-(1-methoxybutan-2-ylcarbamoyl)benzoate
CID 23821566
3-[6-(dimethylamino)pyrazin-2-yl]-N-[(2R)-1-methoxybutan-2-yl]benzamide
CID 125439403
3-[2-fluoro-6-(trifluoromethyl)phenyl]-5-(5-methyl-2-pyridinyl)benzoic acid
CID 67304308
3-(4-cyano-3-pyridinyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide
CID 45138550
3-(4-cyano-3-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
CID 75096326

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide (CID 45138102) is 3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide is CCC(COC)NC(=O)c1cc(-c2ccc(C)cn2)cc(-c2cccc(F)c2F)c1.
What is the InChIKey of 3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is BGWBNSOBFPLVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O2/c1-4-19(14-30-3)28-24(29)18-11-16(20-6-5-7-21(25)23(20)26)10-17(12-18)22-9-8-15(2)13-27-22/h5-13,19H,4,14H2,1-3H3,(H,28,29).
What are the key properties of 3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide?
3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 410.46 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-N-(1-methoxybutan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 45138102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).