3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide

C19H19BrN2O3 — CID 17073804

IUPAC3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCC)c(Br)c1
InChIInChI=1S/C19H19BrN2O3/c1-3-11-21-19(24)14-7-5-6-8-16(14)22-18(23)13-9-10-17(25-4-2)15(20)12-13/h3,5-10,12H,1,4,11H2,2H3,(H,21,24)(H,22,23)
InChIKeyFFQZMMGAECNXFF-UHFFFAOYSA-N
MW403.28 g/mol
LogP4.02
Rot. Bonds7

About 3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide

3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide (PubChem CID 17073804) has the molecular formula C19H19BrN2O3 and a molecular weight of 403.28 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
PubChem CID17073804
Molecular FormulaC19H19BrN2O3
Molecular Weight403.28 g/mol
Exact Mass402.06
IUPAC Name3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCC)c(Br)c1
InChIInChI=1S/C19H19BrN2O3/c1-3-11-21-19(24)14-7-5-6-8-16(14)22-18(23)13-9-10-17(25-4-2)15(20)12-13/h3,5-10,12H,1,4,11H2,2H3,(H,21,24)(H,22,23)
InChIKeyFFQZMMGAECNXFF-UHFFFAOYSA-N
XLogP4.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.28
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-(2-methylpropoxy)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17351678
3-bromo-4-ethoxy-N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
CID 17073820
3-bromo-N-[2-(butan-2-ylcarbamoyl)phenyl]-4-ethoxybenzamide
CID 17151300
3-bromo-N-[2-(ethylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17342812
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-propoxybenzamide
CID 17149402
N-[2-(prop-2-enylcarbamoyl)phenyl]naphthalene-2-carboxamide
CID 9245587
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-prop-2-enylbenzamide
CID 4932228
3-bromo-N-[2-(butylcarbamoyl)phenyl]-4-hexoxybenzamide
CID 17149395
3-bromo-4-(2-phenylethoxy)-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 17072791
3-bromo-4-(2-methoxyethoxy)-N-[2-(phenylcarbamoyl)phenyl]benzamide
CID 17356314
N-[2-(benzylcarbamoyl)phenyl]-3-bromo-4-(2-methoxyethoxy)benzamide
CID 17356400
3,4-diethoxy-N-[2-(methylcarbamoyl)phenyl]benzamide
CID 34752310

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide (CID 17073804) is 3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide is C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCC)c(Br)c1.
What is the InChIKey of 3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
The InChIKey is FFQZMMGAECNXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O3/c1-3-11-21-19(24)14-7-5-6-8-16(14)22-18(23)13-9-10-17(25-4-2)15(20)12-13/h3,5-10,12H,1,4,11H2,2H3,(H,21,24)(H,22,23).
What are the key properties of 3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide?
3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide has a molecular weight of 403.28 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 17073804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).