N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide

C23H13ClF4N2O2 — CID 18367776

IUPACN-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C23H13ClF4N2O2/c24-14-7-8-15-18(11-14)29-20(21(31)12-4-2-1-3-5-12)19(15)30-22(32)16-10-13(23(26,27)28)6-9-17(16)25/h1-11,29H,(H,30,32)
InChIKeyKZXOMLVMLKUFRE-UHFFFAOYSA-N
MW460.81 g/mol
LogP6.46
Rot. Bonds4

About N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide

N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 18367776) has the molecular formula C23H13ClF4N2O2 and a molecular weight of 460.81 g/mol. Its IUPAC name is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide
PubChem CID18367776
Molecular FormulaC23H13ClF4N2O2
Molecular Weight460.81 g/mol
Exact Mass460.06
IUPAC NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C23H13ClF4N2O2/c24-14-7-8-15-18(11-14)29-20(21(31)12-4-2-1-3-5-12)19(15)30-22(32)16-10-13(23(26,27)28)6-9-17(16)25/h1-11,29H,(H,30,32)
InChIKeyKZXOMLVMLKUFRE-UHFFFAOYSA-N
XLogP6.46
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.81
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide (CID 18367776) is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide is O=C(Nc1c(C(=O)c2ccccc2)[nH]c2cc(Cl)ccc12)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is KZXOMLVMLKUFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13ClF4N2O2/c24-14-7-8-15-18(11-14)29-20(21(31)12-4-2-1-3-5-12)19(15)30-22(32)16-10-13(23(26,27)28)6-9-17(16)25/h1-11,29H,(H,30,32).
What are the key properties of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide?
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 460.81 g/mol, XLogP of 6.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 18367776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).