4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide

C18H20BrNO5 — CID 55655345

IUPAC4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1ccc(C(O)CNC(=O)c2cc(OC)c(Br)c(OC)c2)cc1
InChIInChI=1S/C18H20BrNO5/c1-23-13-6-4-11(5-7-13)14(21)10-20-18(22)12-8-15(24-2)17(19)16(9-12)25-3/h4-9,14,21H,10H2,1-3H3,(H,20,22)
InChIKeyAIRYDUUGEQMFRK-UHFFFAOYSA-N
MW410.26 g/mol
LogP2.94
Rot. Bonds7

About 4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide

4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide (PubChem CID 55655345) has the molecular formula C18H20BrNO5 and a molecular weight of 410.26 g/mol. Its IUPAC name is 4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
PubChem CID55655345
Molecular FormulaC18H20BrNO5
Molecular Weight410.26 g/mol
Exact Mass409.05
IUPAC Name4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
SMILESCOc1ccc(C(O)CNC(=O)c2cc(OC)c(Br)c(OC)c2)cc1
InChIInChI=1S/C18H20BrNO5/c1-23-13-6-4-11(5-7-13)14(21)10-20-18(22)12-8-15(24-2)17(19)16(9-12)25-3/h4-9,14,21H,10H2,1-3H3,(H,20,22)
InChIKeyAIRYDUUGEQMFRK-UHFFFAOYSA-N
XLogP2.94
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.26
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 83031498
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
3-[(4-bromo-3,5-dimethoxybenzoyl)amino]-2-hydroxypropanoic acid
CID 66167441
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-3,5-dimethoxybenzamide
CID 47022575
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477233
4-bromo-N-(2-hydroxypentyl)-3,5-dimethoxybenzamide
CID 115700732
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,5-dimethoxybenzamide
CID 90534721
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 43003305
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 110889483

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide (CID 55655345) is 4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide is COc1ccc(C(O)CNC(=O)c2cc(OC)c(Br)c(OC)c2)cc1.
What is the InChIKey of 4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is AIRYDUUGEQMFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO5/c1-23-13-6-4-11(5-7-13)14(21)10-20-18(22)12-8-15(24-2)17(19)16(9-12)25-3/h4-9,14,21H,10H2,1-3H3,(H,20,22).
What are the key properties of 4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide?
4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 410.26 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 55655345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).