N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide

C26H23ClN2O5 — CID 155550487

IUPACN-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)[nH]c3cc(C)ccc23)cc(OC)c1OC
InChIInChI=1S/C26H23ClN2O5/c1-14-5-10-18-19(11-14)28-23(24(30)15-6-8-17(27)9-7-15)22(18)29-26(31)16-12-20(32-2)25(34-4)21(13-16)33-3/h5-13,28H,1-4H3,(H,29,31)
InChIKeyUAEFCUBOGWDSPY-UHFFFAOYSA-N
MW478.93 g/mol
LogP5.64
Rot. Bonds7

About N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide

N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide (PubChem CID 155550487) has the molecular formula C26H23ClN2O5 and a molecular weight of 478.93 g/mol. Its IUPAC name is N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
PubChem CID155550487
Molecular FormulaC26H23ClN2O5
Molecular Weight478.93 g/mol
Exact Mass478.13
IUPAC NameN-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)[nH]c3cc(C)ccc23)cc(OC)c1OC
InChIInChI=1S/C26H23ClN2O5/c1-14-5-10-18-19(11-14)28-23(24(30)15-6-8-17(27)9-7-15)22(18)29-26(31)16-12-20(32-2)25(34-4)21(13-16)33-3/h5-13,28H,1-4H3,(H,29,31)
InChIKeyUAEFCUBOGWDSPY-UHFFFAOYSA-N
XLogP5.64
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.93
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(4-bromobenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
CID 155543225
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-methoxybenzamide
CID 18367863
N-[6-chloro-2-(4-methoxybenzoyl)-1H-indol-3-yl]acetamide
CID 18367767
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205343
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-4-cyanobenzamide
CID 18368131
N-[5-acetyl-2-(4-chlorophenyl)-4-methylphenyl]-3,4,5-trimethoxybenzamide
CID 102339440
3,4,5-trimethoxy-N-[3-methyl-2-(4-methylbenzoyl)-1-benzofuran-6-yl]benzamide
CID 26773474
3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide
CID 50834469
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458
N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide
CID 18367970

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide (CID 155550487) is N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)[nH]c3cc(C)ccc23)cc(OC)c1OC.
What is the InChIKey of N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is UAEFCUBOGWDSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O5/c1-14-5-10-18-19(11-14)28-23(24(30)15-6-8-17(27)9-7-15)22(18)29-26(31)16-12-20(32-2)25(34-4)21(13-16)33-3/h5-13,28H,1-4H3,(H,29,31).
What are the key properties of N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide?
N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 478.93 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorobenzoyl)-6-methyl-1H-indol-3-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 155550487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).