3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide

C20H25BrN2O3 — CID 31449455

IUPAC3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NCc2ccc(CN(C)C)cc2)cc1OC
InChIInChI=1S/C20H25BrN2O3/c1-5-26-19-17(21)10-16(11-18(19)25-4)20(24)22-12-14-6-8-15(9-7-14)13-23(2)3/h6-11H,5,12-13H2,1-4H3,(H,22,24)
InChIKeyJIZVWXMXMXTNGE-UHFFFAOYSA-N
MW421.34 g/mol
LogP3.85
Rot. Bonds8

About 3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide

3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide (PubChem CID 31449455) has the molecular formula C20H25BrN2O3 and a molecular weight of 421.34 g/mol. Its IUPAC name is 3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide
PubChem CID31449455
Molecular FormulaC20H25BrN2O3
Molecular Weight421.34 g/mol
Exact Mass420.10
IUPAC Name3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Br)cc(C(=O)NCc2ccc(CN(C)C)cc2)cc1OC
InChIInChI=1S/C20H25BrN2O3/c1-5-26-19-17(21)10-16(11-18(19)25-4)20(24)22-12-14-6-8-15(9-7-14)13-23(2)3/h6-11H,5,12-13H2,1-4H3,(H,22,24)
InChIKeyJIZVWXMXMXTNGE-UHFFFAOYSA-N
XLogP3.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916758
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-bromo-4-ethoxy-5-methoxy-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzamide
CID 55727960
3-bromo-5-ethoxy-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 7959624
3-bromo-5-ethoxy-4-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916792
3-bromo-N-[(4-fluorophenyl)methyl]-5-methoxy-4-propoxybenzamide
CID 7935461
3-bromo-N-[[2-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-5-methoxybenzamide
CID 26722982
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
3-bromo-4-ethoxy-N-[(4-ethoxyphenyl)methyl]-5-methoxy-N-methylbenzamide
CID 34865376
3-bromo-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-5-methoxybenzamide
CID 7935341
3-bromo-4-ethoxy-5-methoxy-N,N-dimethylbenzamide
CID 78784050
3-bromo-4-ethoxy-5-methoxy-N-[2-(methylamino)ethyl]benzamide
CID 119499914

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide?
The IUPAC name of 3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide (CID 31449455) is 3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide is CCOc1c(Br)cc(C(=O)NCc2ccc(CN(C)C)cc2)cc1OC.
What is the InChIKey of 3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide?
The InChIKey is JIZVWXMXMXTNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3/c1-5-26-19-17(21)10-16(11-18(19)25-4)20(24)22-12-14-6-8-15(9-7-14)13-23(2)3/h6-11H,5,12-13H2,1-4H3,(H,22,24).
What are the key properties of 3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide?
3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide has a molecular weight of 421.34 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[4-[(dimethylamino)methyl]phenyl]methyl]-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 31449455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).