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

C23H17ClN2O3 — CID 18367863

IUPACN-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C(=O)c3ccccc3)[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C23H17ClN2O3/c1-29-17-10-7-15(8-11-17)23(28)26-20-18-12-9-16(24)13-19(18)25-21(20)22(27)14-5-3-2-4-6-14/h2-13,25H,1H3,(H,26,28)
InChIKeyNRLPAQWBAIWRJF-UHFFFAOYSA-N
MW404.85 g/mol
LogP5.31
Rot. Bonds5

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

N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide (PubChem CID 18367863) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide
PubChem CID18367863
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC NameN-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c(C(=O)c3ccccc3)[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C23H17ClN2O3/c1-29-17-10-7-15(8-11-17)23(28)26-20-18-12-9-16(24)13-19(18)25-21(20)22(27)14-5-3-2-4-6-14/h2-13,25H,1H3,(H,26,28)
InChIKeyNRLPAQWBAIWRJF-UHFFFAOYSA-N
XLogP5.31
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.85
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide
CID 18367767
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-tert-butylbenzamide
CID 18368116
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide
CID 18368131
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)-2,2,2-trichloroacetamide
CID 18368099
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-chloro-6-fluorobenzamide
CID 18367804
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 18367776
methyl 5-[(2-benzoyl-6-chloro-1H-indol-3-yl)amino]-4-methyl-5-oxopentanoate
CID 18367919
N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
CID 155550487
N-[6-chloro-2-(3-chlorobenzoyl)-1H-indol-3-yl]acetamide
CID 18367912
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-methoxybenzamide?
The IUPAC name of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide (CID 18367863) is N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide?
The canonical SMILES for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide is COc1ccc(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-methoxybenzamide?
The InChIKey is NRLPAQWBAIWRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O3/c1-29-17-10-7-15(8-11-17)23(28)26-20-18-12-9-16(24)13-19(18)25-21(20)22(27)14-5-3-2-4-6-14/h2-13,25H,1H3,(H,26,28).
What are the key properties of N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide?
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide has a molecular weight of 404.85 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide is sourced from PubChem (CID 18367863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).