2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide

C18H20BrNO5 — CID 2292777

IUPAC2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide
SMILESCOc1cc(C(=O)NCCOc2ccccc2)c(Br)c(OC)c1OC
InChIInChI=1S/C18H20BrNO5/c1-22-14-11-13(15(19)17(24-3)16(14)23-2)18(21)20-9-10-25-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,20,21)
InChIKeyAYZHBCLKZQRFAG-UHFFFAOYSA-N
MW410.26 g/mol
LogP3.28
Rot. Bonds8

About 2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide

2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide (PubChem CID 2292777) has the molecular formula C18H20BrNO5 and a molecular weight of 410.26 g/mol. Its IUPAC name is 2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide
PubChem CID2292777
Molecular FormulaC18H20BrNO5
Molecular Weight410.26 g/mol
Exact Mass409.05
IUPAC Name2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide
SMILESCOc1cc(C(=O)NCCOc2ccccc2)c(Br)c(OC)c1OC
InChIInChI=1S/C18H20BrNO5/c1-22-14-11-13(15(19)17(24-3)16(14)23-2)18(21)20-9-10-25-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,20,21)
InChIKeyAYZHBCLKZQRFAG-UHFFFAOYSA-N
XLogP3.28
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-ethoxy-5-methoxy-N-(2-phenoxyethyl)benzamide
CID 26903200
2,4-dimethoxy-N-(3-phenoxypropyl)benzamide
CID 51256264
6-chloro-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 25222899
2,5-dibromo-N-(2-phenoxyethyl)benzamide
CID 114372083
2,4,5-trimethoxy-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 8934968
2-fluoro-4-methoxy-N-(2-phenoxyethyl)benzamide
CID 30756648
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide
CID 100531701
N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55882512
5-bromo-2-fluoro-N-(2-phenoxyethyl)benzamide
CID 17431359
2,5-dimethoxy-N-(4-phenoxybutyl)benzamide
CID 18120226
2-(2-phenoxyethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 24549627

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide (CID 2292777) is 2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide is COc1cc(C(=O)NCCOc2ccccc2)c(Br)c(OC)c1OC.
What is the InChIKey of 2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide?
The InChIKey is AYZHBCLKZQRFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO5/c1-22-14-11-13(15(19)17(24-3)16(14)23-2)18(21)20-9-10-25-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,20,21).
What are the key properties of 2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide?
2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide has a molecular weight of 410.26 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,4,5-trimethoxy-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 2292777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).