N-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide

C26H23ClN2O7 — CID 155516721

IUPACN-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(C(=O)c2[nH]c3cc(Cl)ccc3c2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C26H23ClN2O7/c1-33-19-8-5-13(9-18(19)30)24(31)23-22(16-7-6-15(27)12-17(16)28-23)29-26(32)14-10-20(34-2)25(36-4)21(11-14)35-3/h5-12,28,30H,1-4H3,(H,29,32)
InChIKeyLGTZAUXVUBADHQ-UHFFFAOYSA-N
MW510.93 g/mol
LogP5.04
Rot. Bonds8

About N-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide

N-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide (PubChem CID 155516721) has the molecular formula C26H23ClN2O7 and a molecular weight of 510.93 g/mol. Its IUPAC name is N-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
PubChem CID155516721
Molecular FormulaC26H23ClN2O7
Molecular Weight510.93 g/mol
Exact Mass510.12
IUPAC NameN-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide
SMILESCOc1ccc(C(=O)c2[nH]c3cc(Cl)ccc3c2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C26H23ClN2O7/c1-33-19-8-5-13(9-18(19)30)24(31)23-22(16-7-6-15(27)12-17(16)28-23)29-26(32)14-10-20(34-2)25(36-4)21(11-14)35-3/h5-12,28,30H,1-4H3,(H,29,32)
InChIKeyLGTZAUXVUBADHQ-UHFFFAOYSA-N
XLogP5.04
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.93
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide (CID 155516721) is N-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide is COc1ccc(C(=O)c2[nH]c3cc(Cl)ccc3c2NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of N-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide?
The InChIKey is LGTZAUXVUBADHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O7/c1-33-19-8-5-13(9-18(19)30)24(31)23-22(16-7-6-15(27)12-17(16)28-23)29-26(32)14-10-20(34-2)25(36-4)21(11-14)35-3/h5-12,28,30H,1-4H3,(H,29,32).
What are the key properties of N-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide?
N-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide has a molecular weight of 510.93 g/mol, XLogP of 5.04, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-2-(3-hydroxy-4-methoxybenzoyl)-1H-indol-3-yl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 155516721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).