4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

C18H20BrNO4 — CID 17412285

IUPAC4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C18H20BrNO4/c1-20(11-12-7-5-6-8-14(12)22-2)18(21)13-9-15(23-3)17(19)16(10-13)24-4/h5-10H,11H2,1-4H3
InChIKeyZNJFUTZPSPZTCK-UHFFFAOYSA-N
MW394.27 g/mol
LogP3.75
Rot. Bonds6

About 4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide

4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 17412285) has the molecular formula C18H20BrNO4 and a molecular weight of 394.27 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID17412285
Molecular FormulaC18H20BrNO4
Molecular Weight394.27 g/mol
Exact Mass393.06
IUPAC Name4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccccc1CN(C)C(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C18H20BrNO4/c1-20(11-12-7-5-6-8-14(12)22-2)18(21)13-9-15(23-3)17(19)16(10-13)24-4/h5-10H,11H2,1-4H3
InChIKeyZNJFUTZPSPZTCK-UHFFFAOYSA-N
XLogP3.75
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.27
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-[(2-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 27824436
3-chloro-4-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103221354
3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
3-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 61417620
N-[(2-fluorophenyl)methyl]-3,4,5-trimethoxy-N-methylbenzamide
CID 4780408
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911
5-bromo-2-iodo-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103600356
3-[2-(dimethylamino)-2-oxoethoxy]-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 55770594
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 62160081
3-bromo-N-[(2-hydroxyphenyl)methyl]-4-methoxy-N-methylbenzamide
CID 60978582
2-amino-5-hydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 107074383
3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 55861656

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide (CID 17412285) is 4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccccc1CN(C)C(=O)c1cc(OC)c(Br)c(OC)c1.
What is the InChIKey of 4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is ZNJFUTZPSPZTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO4/c1-20(11-12-7-5-6-8-14(12)22-2)18(21)13-9-15(23-3)17(19)16(10-13)24-4/h5-10H,11H2,1-4H3.
What are the key properties of 4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide?
4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 394.27 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 17412285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).