4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide

C23H20F2N2O3 — CID 55996525

IUPAC4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCc3cc(F)ccc3F)cc2)cc1
InChIInChI=1S/C23H20F2N2O3/c1-30-20-10-8-19(9-11-20)27-23(29)15-2-6-18(7-3-15)26-22(28)13-4-16-14-17(24)5-12-21(16)25/h2-3,5-12,14H,4,13H2,1H3,(H,26,28)(H,27,29)
InChIKeyBLWXORKLSNDGDZ-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.80
Rot. Bonds7

About 4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide

4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide (PubChem CID 55996525) has the molecular formula C23H20F2N2O3 and a molecular weight of 410.42 g/mol. Its IUPAC name is 4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide
PubChem CID55996525
Molecular FormulaC23H20F2N2O3
Molecular Weight410.42 g/mol
Exact Mass410.14
IUPAC Name4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)CCc3cc(F)ccc3F)cc2)cc1
InChIInChI=1S/C23H20F2N2O3/c1-30-20-10-8-19(9-11-20)27-23(29)15-2-6-18(7-3-15)26-22(28)13-4-16-14-17(24)5-12-21(16)25/h2-3,5-12,14H,4,13H2,1H3,(H,26,28)(H,27,29)
InChIKeyBLWXORKLSNDGDZ-UHFFFAOYSA-N
XLogP4.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2677119
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxybenzamide
CID 110788169
2,4-difluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 4796910
N-(4-methoxyphenyl)-4-(4-oxopentanoylamino)benzamide
CID 9415671
4-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9083988
3-(2,5-difluorophenyl)-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 110922795
3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide
CID 56782937
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(4-methoxyphenyl)propanamide
CID 110422053
4-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-(4-methoxyphenyl)benzamide
CID 60546123
N-(2-methoxyphenyl)-4-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 7929170
2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469
N-(4-ethoxyphenyl)-4-[3-(4-fluorophenyl)propanoylamino]benzamide
CID 18279791

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide (CID 55996525) is 4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)CCc3cc(F)ccc3F)cc2)cc1.
What is the InChIKey of 4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide?
The InChIKey is BLWXORKLSNDGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O3/c1-30-20-10-8-19(9-11-20)27-23(29)15-2-6-18(7-3-15)26-22(28)13-4-16-14-17(24)5-12-21(16)25/h2-3,5-12,14H,4,13H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide?
4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide has a molecular weight of 410.42 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,5-difluorophenyl)propanoylamino]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 55996525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).