N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide

C26H23ClN2O2 — CID 18368116

IUPACN-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2c(C(=O)c3ccccc3)[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C26H23ClN2O2/c1-26(2,3)18-11-9-17(10-12-18)25(31)29-22-20-14-13-19(27)15-21(20)28-23(22)24(30)16-7-5-4-6-8-16/h4-15,28H,1-3H3,(H,29,31)
InChIKeyGQYYLBVQTWOWIQ-UHFFFAOYSA-N
MW430.94 g/mol
LogP6.60
Rot. Bonds4

About N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide

N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide (PubChem CID 18368116) has the molecular formula C26H23ClN2O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide
PubChem CID18368116
Molecular FormulaC26H23ClN2O2
Molecular Weight430.94 g/mol
Exact Mass430.14
IUPAC NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2c(C(=O)c3ccccc3)[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C26H23ClN2O2/c1-26(2,3)18-11-9-17(10-12-18)25(31)29-22-20-14-13-19(27)15-21(20)28-23(22)24(30)16-7-5-4-6-8-16/h4-15,28H,1-3H3,(H,29,31)
InChIKeyGQYYLBVQTWOWIQ-UHFFFAOYSA-N
XLogP6.60
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide
CID 18367863
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide
CID 18368131
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)-2,2,2-trichloroacetamide
CID 18368099
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-bromobenzamide
CID 18368226
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide
CID 18368229
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide
CID 18367804
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
[3-(5-bromopentylamino)-6-chloro-1H-indol-2-yl]-phenylmethanone
CID 57250038
N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide
CID 18367767
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-phenylmethoxyacetamide
CID 18368072

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide?
The IUPAC name of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide (CID 18368116) is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide.
What is the SMILES notation for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide?
The canonical SMILES for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide is CC(C)(C)c1ccc(C(=O)Nc2c(C(=O)c3ccccc3)[nH]c3cc(Cl)ccc23)cc1.
What is the InChIKey of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide?
The InChIKey is GQYYLBVQTWOWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O2/c1-26(2,3)18-11-9-17(10-12-18)25(31)29-22-20-14-13-19(27)15-21(20)28-23(22)24(30)16-7-5-4-6-8-16/h4-15,28H,1-3H3,(H,29,31).
What are the key properties of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide?
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide has a molecular weight of 430.94 g/mol, XLogP of 6.60, 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)-4-tert-butylbenzamide is sourced from PubChem (CID 18368116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).