3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide

C19H21BrN2O4 — CID 17231899

IUPAC3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1Br
InChIInChI=1S/C19H21BrN2O4/c1-22(2)19(24)14-5-4-6-15(11-14)21-18(23)13-7-8-17(16(20)12-13)26-10-9-25-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,23)
InChIKeyJCYRLVZUIQWVQG-UHFFFAOYSA-N
MW421.29 g/mol
LogP3.43
Rot. Bonds7

About 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide

3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide (PubChem CID 17231899) has the molecular formula C19H21BrN2O4 and a molecular weight of 421.29 g/mol. Its IUPAC name is 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
PubChem CID17231899
Molecular FormulaC19H21BrN2O4
Molecular Weight421.29 g/mol
Exact Mass420.07
IUPAC Name3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1Br
InChIInChI=1S/C19H21BrN2O4/c1-22(2)19(24)14-5-4-6-15(11-14)21-18(23)13-7-8-17(16(20)12-13)26-10-9-25-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,23)
InChIKeyJCYRLVZUIQWVQG-UHFFFAOYSA-N
XLogP3.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.29
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 17231880
N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17234914
3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 17222743
3-bromo-N-[[3-(dimethylcarbamoyl)phenyl]carbamothioyl]-4-propoxybenzamide
CID 17232138
3-bromo-N-[3-(tert-butylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 28639507
3-bromo-4-(2-methoxyethoxy)-N-[[3-(phenylcarbamoyl)phenyl]carbamothioyl]benzamide
CID 54781343
N-[(3-benzamidophenyl)carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17235195
3-bromo-4-methoxy-N-[3-(2-methoxyethylcarbamoyl)phenyl]benzamide
CID 17218947
3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide
CID 26160564
3-bromo-N-[[3-(dimethylcarbamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17232146
3-bromo-N-[(3-bromophenyl)carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17252485
N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-hexoxybenzamide
CID 26162981

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide?
The IUPAC name of 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide (CID 17231899) is 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide.
What is the SMILES notation for 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide?
The canonical SMILES for 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide is COCCOc1ccc(C(=O)Nc2cccc(C(=O)N(C)C)c2)cc1Br.
What is the InChIKey of 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide?
The InChIKey is JCYRLVZUIQWVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O4/c1-22(2)19(24)14-5-4-6-15(11-14)21-18(23)13-7-8-17(16(20)12-13)26-10-9-25-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,23).
What are the key properties of 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide?
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide has a molecular weight of 421.29 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17231899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).