N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide

C19H22ClNO6 — CID 2980127

IUPACN-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOCCOc1ccc(Cl)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H22ClNO6/c1-23-7-8-27-15-6-5-13(20)11-14(15)21-19(22)12-9-16(24-2)18(26-4)17(10-12)25-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,22)
InChIKeyNXCYAEMRTRALGB-UHFFFAOYSA-N
MW395.84 g/mol
LogP3.64
Rot. Bonds9

About N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide

N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 2980127) has the molecular formula C19H22ClNO6 and a molecular weight of 395.84 g/mol. Its IUPAC name is N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID2980127
Molecular FormulaC19H22ClNO6
Molecular Weight395.84 g/mol
Exact Mass395.11
IUPAC NameN-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOCCOc1ccc(Cl)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H22ClNO6/c1-23-7-8-27-15-6-5-13(20)11-14(15)21-19(22)12-9-16(24-2)18(26-4)17(10-12)25-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,22)
InChIKeyNXCYAEMRTRALGB-UHFFFAOYSA-N
XLogP3.64
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.84
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide
CID 835945
4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 17470265
4-N-(5-chloro-2-methoxyphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045180
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,5-dichloro-N-(5-chloro-2-methoxyphenyl)-4-hexoxybenzamide
CID 18848495
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
N-(5-chloro-2-methoxyphenyl)-4-iodobenzamide
CID 1047673
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
N-[2-[[(2,4-dichlorobenzoyl)amino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 126005822
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide (CID 2980127) is N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide is COCCOc1ccc(Cl)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is NXCYAEMRTRALGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO6/c1-23-7-8-27-15-6-5-13(20)11-14(15)21-19(22)12-9-16(24-2)18(26-4)17(10-12)25-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,22).
What are the key properties of N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide?
N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 395.84 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2-methoxyethoxy)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2980127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).