N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide

C25H15Cl2F3N4O2 — CID 46880037

IUPACN-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide
SMILESCc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3nnc(NC(=O)c4ccc(F)cc4F)o3)cc(F)cc12
InChIInChI=1S/C25H15Cl2F3N4O2/c1-12-10-34(11-13-2-3-14(26)6-20(13)27)22-18(12)7-16(29)8-19(22)24-32-33-25(36-24)31-23(35)17-5-4-15(28)9-21(17)30/h2-10H,11H2,1H3,(H,31,33,35)
InChIKeyXEEOUXAQHVRQGD-UHFFFAOYSA-N
MW531.32 g/mol
LogP7.02
Rot. Bonds5

About N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide

N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide (PubChem CID 46880037) has the molecular formula C25H15Cl2F3N4O2 and a molecular weight of 531.32 g/mol. Its IUPAC name is N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide
PubChem CID46880037
Molecular FormulaC25H15Cl2F3N4O2
Molecular Weight531.32 g/mol
Exact Mass530.05
IUPAC NameN-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide
SMILESCc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3nnc(NC(=O)c4ccc(F)cc4F)o3)cc(F)cc12
InChIInChI=1S/C25H15Cl2F3N4O2/c1-12-10-34(11-13-2-3-14(26)6-20(13)27)22-18(12)7-16(29)8-19(22)24-32-33-25(36-24)31-23(35)17-5-4-15(28)9-21(17)30/h2-10H,11H2,1H3,(H,31,33,35)
InChIKeyXEEOUXAQHVRQGD-UHFFFAOYSA-N
XLogP7.02
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.32
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide (CID 46880037) is N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide is Cc1cn(Cc2ccc(Cl)cc2Cl)c2c(-c3nnc(NC(=O)c4ccc(F)cc4F)o3)cc(F)cc12.
What is the InChIKey of N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide?
The InChIKey is XEEOUXAQHVRQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15Cl2F3N4O2/c1-12-10-34(11-13-2-3-14(26)6-20(13)27)22-18(12)7-16(29)8-19(22)24-32-33-25(36-24)31-23(35)17-5-4-15(28)9-21(17)30/h2-10H,11H2,1H3,(H,31,33,35).
What are the key properties of N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide?
N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide has a molecular weight of 531.32 g/mol, XLogP of 7.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[(2,4-dichlorophenyl)methyl]-5-fluoro-3-methylindol-7-yl]-1,3,4-oxadiazol-2-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 46880037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).