4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide

C21H25BrN2O4 — CID 56511790

IUPAC4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C21H25BrN2O4/c1-6-24(13-14-7-9-15(10-8-14)20(25)23(2)3)21(26)16-11-17(27-4)19(22)18(12-16)28-5/h7-12H,6,13H2,1-5H3
InChIKeyFIMXOQCHZKYFOP-UHFFFAOYSA-N
MW449.35 g/mol
LogP3.83
Rot. Bonds7

About 4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide

4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide (PubChem CID 56511790) has the molecular formula C21H25BrN2O4 and a molecular weight of 449.35 g/mol. Its IUPAC name is 4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide
PubChem CID56511790
Molecular FormulaC21H25BrN2O4
Molecular Weight449.35 g/mol
Exact Mass448.10
IUPAC Name4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(OC)c(Br)c(OC)c1
InChIInChI=1S/C21H25BrN2O4/c1-6-24(13-14-7-9-15(10-8-14)20(25)23(2)3)21(26)16-11-17(27-4)19(22)18(12-16)28-5/h7-12H,6,13H2,1-5H3
InChIKeyFIMXOQCHZKYFOP-UHFFFAOYSA-N
XLogP3.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-butoxy-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3-methoxybenzamide
CID 56512309
4-[[ethyl-[2-(3,4,5-trimethoxyphenyl)acetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512693
N-benzyl-3-bromo-N-ethyl-4-methoxybenzamide
CID 60660630
4-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-3,5-dimethoxybenzamide
CID 26708054
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-bis(trifluoromethyl)benzamide
CID 56511666
4-amino-5-chloro-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-2-methoxybenzamide;hydrochloride
CID 119774991
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
3-(difluoromethoxy)-N-ethyl-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 55761516
4-[[ethyl-[4-(methoxysulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512067
2-bromo-N-ethyl-4-methoxy-N-(pyridin-4-ylmethyl)-1-benzofuran-6-carboxamide
CID 91958146
4-bromo-3-(dimethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethylbenzamide
CID 24655936
N-[[4-(dimethylamino)phenyl]methyl]-3,4,5-triethoxy-N-ethylbenzamide
CID 55438168

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide (CID 56511790) is 4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(OC)c(Br)c(OC)c1.
What is the InChIKey of 4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide?
The InChIKey is FIMXOQCHZKYFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4/c1-6-24(13-14-7-9-15(10-8-14)20(25)23(2)3)21(26)16-11-17(27-4)19(22)18(12-16)28-5/h7-12H,6,13H2,1-5H3.
What are the key properties of 4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide?
4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide has a molecular weight of 449.35 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-3,5-dimethoxybenzamide is sourced from PubChem (CID 56511790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).