3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide

C18H19BrN2O3 — CID 26160564

IUPAC3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1Br
InChIInChI=1S/C18H19BrN2O3/c1-2-3-9-24-16-8-7-13(11-15(16)19)18(23)21-14-6-4-5-12(10-14)17(20)22/h4-8,10-11H,2-3,9H2,1H3,(H2,20,22)(H,21,23)
InChIKeyQSLAXNYONMMEEQ-UHFFFAOYSA-N
MW391.27 g/mol
LogP3.98
Rot. Bonds7

About 3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide

3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide (PubChem CID 26160564) has the molecular formula C18H19BrN2O3 and a molecular weight of 391.27 g/mol. Its IUPAC name is 3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide
PubChem CID26160564
Molecular FormulaC18H19BrN2O3
Molecular Weight391.27 g/mol
Exact Mass390.06
IUPAC Name3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1Br
InChIInChI=1S/C18H19BrN2O3/c1-2-3-9-24-16-8-7-13(11-15(16)19)18(23)21-14-6-4-5-12(10-14)17(20)22/h4-8,10-11H,2-3,9H2,1H3,(H2,20,22)(H,21,23)
InChIKeyQSLAXNYONMMEEQ-UHFFFAOYSA-N
XLogP3.98
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-hexoxy-N-(3-methylphenyl)benzamide
CID 4959421
3-bromo-N-[3-(dimethylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 17231880
N-(4-anilinophenyl)-3-bromo-4-butoxybenzamide
CID 4955723
3-bromo-4-butoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235626
3-bromo-N-[3-(butylcarbamoyl)phenyl]-4-ethoxybenzamide
CID 17197037
3-bromo-4-(2-methoxyethoxy)-N-[3-(propylcarbamoyl)phenyl]benzamide
CID 17222743
3-bromo-4-propoxy-N-(3-propoxyphenyl)benzamide
CID 17096782
3-bromo-4-hexoxy-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 17189252
3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-hexoxybenzamide
CID 17204617
N-(3-benzamidophenyl)-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17234914
3-bromo-N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-4-propoxybenzamide
CID 26166839
3-bromo-4-hexoxy-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17123597

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide?
The IUPAC name of 3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide (CID 26160564) is 3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide.
What is the SMILES notation for 3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide?
The canonical SMILES for 3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide is CCCCOc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1Br.
What is the InChIKey of 3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide?
The InChIKey is QSLAXNYONMMEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O3/c1-2-3-9-24-16-8-7-13(11-15(16)19)18(23)21-14-6-4-5-12(10-14)17(20)22/h4-8,10-11H,2-3,9H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide?
3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide has a molecular weight of 391.27 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-butoxy-N-(3-carbamoylphenyl)benzamide is sourced from PubChem (CID 26160564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).