N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide

C25H21BrN2O5 — CID 155543225

IUPACN-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(C(=O)c3ccc(Br)cc3)[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C25H21BrN2O5/c1-31-19-12-15(13-20(32-2)24(19)33-3)25(30)28-21-17-6-4-5-7-18(17)27-22(21)23(29)14-8-10-16(26)11-9-14/h4-13,27H,1-3H3,(H,28,30)
InChIKeyZKKWRHUJSAKSOM-UHFFFAOYSA-N
MW509.36 g/mol
LogP5.44
Rot. Bonds7

About N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide

N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide (PubChem CID 155543225) has the molecular formula C25H21BrN2O5 and a molecular weight of 509.36 g/mol. Its IUPAC name is N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
PubChem CID155543225
Molecular FormulaC25H21BrN2O5
Molecular Weight509.36 g/mol
Exact Mass508.06
IUPAC NameN-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(C(=O)c3ccc(Br)cc3)[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C25H21BrN2O5/c1-31-19-12-15(13-20(32-2)24(19)33-3)25(30)28-21-17-6-4-5-7-18(17)27-22(21)23(29)14-8-10-16(26)11-9-14/h4-13,27H,1-3H3,(H,28,30)
InChIKeyZKKWRHUJSAKSOM-UHFFFAOYSA-N
XLogP5.44
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.36
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
CID 155550487
N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide
CID 18367970
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide
CID 18367863
methyl 5-bromo-3-(3,4,5-trimethoxybenzoyl)-1H-indole-2-carboxylate
CID 44597310
4-bromo-N-(2-phenyl-1H-indol-3-yl)benzamide
CID 12026254
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
N-[2-(benzamidocarbamoyl)phenyl]-3,4,5-trimethoxybenzamide
CID 126008715
4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4305601
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430
3,4,5-trimethoxy-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84580879

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide (CID 155543225) is N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2c(C(=O)c3ccc(Br)cc3)[nH]c3ccccc23)cc(OC)c1OC.
What is the InChIKey of N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is ZKKWRHUJSAKSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN2O5/c1-31-19-12-15(13-20(32-2)24(19)33-3)25(30)28-21-17-6-4-5-7-18(17)27-22(21)23(29)14-8-10-16(26)11-9-14/h4-13,27H,1-3H3,(H,28,30).
What are the key properties of N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide?
N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 509.36 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 155543225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).