3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide

C19H21BrN2O4 — CID 55660483

IUPAC3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2cccc(C(=O)NC)c2C)cc1OC
InChIInChI=1S/C19H21BrN2O4/c1-5-26-17-14(20)9-12(10-16(17)25-4)18(23)22-15-8-6-7-13(11(15)2)19(24)21-3/h6-10H,5H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyHJBRIMAYHLVMER-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.78
Rot. Bonds6

About 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide

3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide (PubChem CID 55660483) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide
PubChem CID55660483
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Name3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide
SMILESCCOc1c(Br)cc(C(=O)Nc2cccc(C(=O)NC)c2C)cc1OC
InChIInChI=1S/C19H21BrN2O4/c1-5-26-17-14(20)9-12(10-16(17)25-4)18(23)22-15-8-6-7-13(11(15)2)19(24)21-3/h6-10H,5H2,1-4H3,(H,21,24)(H,22,23)
InChIKeyHJBRIMAYHLVMER-UHFFFAOYSA-N
XLogP3.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
3-bromo-4-ethoxy-N-(4-fluoro-2-methoxyphenyl)-5-methoxybenzamide
CID 86926604
3-bromo-N-(2,3-dimethylphenyl)-4-ethoxy-5-phenylmethoxybenzamide
CID 5015418
3-bromo-N-(5-chloro-2,4-dimethoxyphenyl)-4-ethoxy-5-methoxybenzamide
CID 42057269
3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
CID 55700666
N-(2-bromophenyl)-3-chloro-4-ethoxy-5-methoxybenzamide
CID 3392529
3-[(4-ethylbenzoyl)amino]-N,2-dimethylbenzamide
CID 46461694
N-benzyl-3-bromo-4-ethoxy-5-methoxybenzamide
CID 5008946
3-bromo-4-ethoxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 35027407
3-bromo-4-ethoxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916758
N-(2,3-dimethylphenyl)-3,4,5-triethoxybenzamide
CID 1219709
N-[2-(1,3-benzothiazol-2-yl)phenyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 26181557

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide (CID 55660483) is 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide is CCOc1c(Br)cc(C(=O)Nc2cccc(C(=O)NC)c2C)cc1OC.
What is the InChIKey of 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide?
The InChIKey is HJBRIMAYHLVMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-5-26-17-14(20)9-12(10-16(17)25-4)18(23)22-15-8-6-7-13(11(15)2)19(24)21-3/h6-10H,5H2,1-4H3,(H,21,24)(H,22,23).
What are the key properties of 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide?
3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide has a molecular weight of 421.29 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-5-methoxy-N-[2-methyl-3-(methylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 55660483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).