5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide

C17H17BrClNO3 — CID 90623399

IUPAC5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2cc(Br)ccc2Cl)OC)c1
InChIInChI=1S/C17H17BrClNO3/c1-22-13-5-3-4-11(8-13)16(23-2)10-20-17(21)14-9-12(18)6-7-15(14)19/h3-9,16H,10H2,1-2H3,(H,20,21)
InChIKeyRVPKPQLPSWIERV-UHFFFAOYSA-N
MW398.68 g/mol
LogP4.23
Rot. Bonds6

About 5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide

5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide (PubChem CID 90623399) has the molecular formula C17H17BrClNO3 and a molecular weight of 398.68 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
PubChem CID90623399
Molecular FormulaC17H17BrClNO3
Molecular Weight398.68 g/mol
Exact Mass397.01
IUPAC Name5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cccc(C(CNC(=O)c2cc(Br)ccc2Cl)OC)c1
InChIInChI=1S/C17H17BrClNO3/c1-22-13-5-3-4-11(8-13)16(23-2)10-20-17(21)14-9-12(18)6-7-15(14)19/h3-9,16H,10H2,1-2H3,(H,20,21)
InChIKeyRVPKPQLPSWIERV-UHFFFAOYSA-N
XLogP4.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623355
5-bromo-2-chloro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzamide
CID 90598056
5-bromo-2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]benzamide
CID 121180187
2,5-dichloro-N-[2-(3-fluorophenyl)-2-methoxyethyl]benzamide
CID 90622974
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 73168524
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-3-methylbenzamide
CID 90623269
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 90623331
4-ethyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623280
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623404
N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623593
1-(3,5-dimethoxyphenyl)-3-[2-methoxy-2-(3-methoxyphenyl)ethyl]urea
CID 90623649

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide (CID 90623399) is 5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide is COc1cccc(C(CNC(=O)c2cc(Br)ccc2Cl)OC)c1.
What is the InChIKey of 5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide?
The InChIKey is RVPKPQLPSWIERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO3/c1-22-13-5-3-4-11(8-13)16(23-2)10-20-17(21)14-9-12(18)6-7-15(14)19/h3-9,16H,10H2,1-2H3,(H,20,21).
What are the key properties of 5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide?
5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide has a molecular weight of 398.68 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 90623399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).