N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide

C22H13Cl2FN2O2 — CID 18367804

IUPACN-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide
SMILESO=C(c1ccccc1)c1[nH]c2cc(Cl)ccc2c1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C22H13Cl2FN2O2/c23-13-9-10-14-17(11-13)26-20(21(28)12-5-2-1-3-6-12)19(14)27-22(29)18-15(24)7-4-8-16(18)25/h1-11,26H,(H,27,29)
InChIKeyVCKYQRARXJPSFH-UHFFFAOYSA-N
MW427.26 g/mol
LogP6.10
Rot. Bonds4

About N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide

N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide (PubChem CID 18367804) has the molecular formula C22H13Cl2FN2O2 and a molecular weight of 427.26 g/mol. Its IUPAC name is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide
PubChem CID18367804
Molecular FormulaC22H13Cl2FN2O2
Molecular Weight427.26 g/mol
Exact Mass426.03
IUPAC NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide
SMILESO=C(c1ccccc1)c1[nH]c2cc(Cl)ccc2c1NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C22H13Cl2FN2O2/c23-13-9-10-14-17(11-13)26-20(21(28)12-5-2-1-3-6-12)19(14)27-22(29)18-15(24)7-4-8-16(18)25/h1-11,26H,(H,27,29)
InChIKeyVCKYQRARXJPSFH-UHFFFAOYSA-N
XLogP6.10
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.26
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 18367776
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide
CID 18368226
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide
CID 18368116
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2,2,2-trichloroacetamide
CID 18368099
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide
CID 18368131
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide
CID 18367863
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide
CID 18368229
N-[6-chloro-2-(3-chlorobenzoyl)-1H-indol-3-yl]acetamide
CID 18367912
N-[6-chloro-2-(3-hydroxybenzoyl)-1H-indol-3-yl]acetamide
CID 18368034
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-phenylmethoxyacetamide
CID 18368072
N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide
CID 18368049
[3-(5-bromopentylamino)-6-chloro-1H-indol-2-yl]-phenylmethanone
CID 57250038

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide?
The IUPAC name of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide (CID 18367804) is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide is O=C(c1ccccc1)c1[nH]c2cc(Cl)ccc2c1NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide?
The InChIKey is VCKYQRARXJPSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl2FN2O2/c23-13-9-10-14-17(11-13)26-20(21(28)12-5-2-1-3-6-12)19(14)27-22(29)18-15(24)7-4-8-16(18)25/h1-11,26H,(H,27,29).
What are the key properties of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide?
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide has a molecular weight of 427.26 g/mol, XLogP of 6.10, 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-chloro-6-fluorobenzamide is sourced from PubChem (CID 18367804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).