5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide

C23H20BrFN2O3 — CID 26159081

IUPAC5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C23H20BrFN2O3/c1-2-12-30-21-11-6-16(24)14-20(21)23(29)27-19-5-3-4-15(13-19)22(28)26-18-9-7-17(25)8-10-18/h3-11,13-14H,2,12H2,1H3,(H,26,28)(H,27,29)
InChIKeyYQIPZNVVJLVQFF-UHFFFAOYSA-N
MW471.33 g/mol
LogP5.88
Rot. Bonds7

About 5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide

5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide (PubChem CID 26159081) has the molecular formula C23H20BrFN2O3 and a molecular weight of 471.33 g/mol. Its IUPAC name is 5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide
PubChem CID26159081
Molecular FormulaC23H20BrFN2O3
Molecular Weight471.33 g/mol
Exact Mass470.06
IUPAC Name5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide
SMILESCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C23H20BrFN2O3/c1-2-12-30-21-11-6-16(24)14-20(21)23(29)27-19-5-3-4-15(13-19)22(28)26-18-9-7-17(25)8-10-18/h3-11,13-14H,2,12H2,1H3,(H,26,28)(H,27,29)
InChIKeyYQIPZNVVJLVQFF-UHFFFAOYSA-N
XLogP5.88
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.33
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[3-[(3-methylphenyl)carbamoyl]phenyl]-2-propoxybenzamide
CID 26164769
5-bromo-N-(3-fluorophenyl)-2-propoxybenzamide
CID 54788444
5-bromo-2-butoxy-N-[3-(tert-butylcarbamoyl)phenyl]benzamide
CID 28639499
5-bromo-N-(4-chlorophenyl)-2-propoxybenzamide
CID 17351377
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
5-bromo-N-(4-iodophenyl)-2-propoxybenzamide
CID 17351391
5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 17252356
N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide
CID 17234910
N-(3-acetamidophenyl)-5-bromo-2-butoxybenzamide
CID 17189847
3-[(5-bromo-2-ethoxybenzoyl)amino]benzoic acid
CID 1026604
5-bromo-N-[(3-carbamoylphenyl)carbamothioyl]-2-propoxybenzamide
CID 26161049
N-(3-benzamidophenyl)-5-bromo-2-(2-phenylethoxy)benzamide
CID 17234918

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide?
The IUPAC name of 5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide (CID 26159081) is 5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide?
The canonical SMILES for 5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide is CCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide?
The InChIKey is YQIPZNVVJLVQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrFN2O3/c1-2-12-30-21-11-6-16(24)14-20(21)23(29)27-19-5-3-4-15(13-19)22(28)26-18-9-7-17(25)8-10-18/h3-11,13-14H,2,12H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide?
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide has a molecular weight of 471.33 g/mol, XLogP of 5.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-2-propoxybenzamide is sourced from PubChem (CID 26159081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).