3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide

C24H22BrFN2O3 — CID 26159082

IUPAC3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1Br
InChIInChI=1S/C24H22BrFN2O3/c1-15(2)14-31-22-11-6-17(13-21(22)25)24(30)28-20-5-3-4-16(12-20)23(29)27-19-9-7-18(26)8-10-19/h3-13,15H,14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyJBXXXYSALLLPSI-UHFFFAOYSA-N
MW485.35 g/mol
LogP6.13
Rot. Bonds7

About 3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide

3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide (PubChem CID 26159082) has the molecular formula C24H22BrFN2O3 and a molecular weight of 485.35 g/mol. Its IUPAC name is 3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide
PubChem CID26159082
Molecular FormulaC24H22BrFN2O3
Molecular Weight485.35 g/mol
Exact Mass484.08
IUPAC Name3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide
SMILESCC(C)COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1Br
InChIInChI=1S/C24H22BrFN2O3/c1-15(2)14-31-22-11-6-17(13-21(22)25)24(30)28-20-5-3-4-16(12-20)23(29)27-19-9-7-18(26)8-10-19/h3-13,15H,14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyJBXXXYSALLLPSI-UHFFFAOYSA-N
XLogP6.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.35
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 43878123
3-bromo-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17204631
3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 26162487
3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide
CID 17351586
3-bromo-4-(2-methylpropoxy)-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205552
3-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 17199563
3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide
CID 17355174
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
3-bromo-4-(2-methylpropoxy)-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17202376
3-bromo-4-(2-methoxyethoxy)-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17356436
N-[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]-2-(2-methylpropoxy)benzamide
CID 26166788
3-bromo-4-(3-methylbutoxy)-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17097335

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide?
The IUPAC name of 3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide (CID 26159082) is 3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for 3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide?
The canonical SMILES for 3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide is CC(C)COc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(F)cc3)c2)cc1Br.
What is the InChIKey of 3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide?
The InChIKey is JBXXXYSALLLPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrFN2O3/c1-15(2)14-31-22-11-6-17(13-21(22)25)24(30)28-20-5-3-4-16(12-20)23(29)27-19-9-7-18(26)8-10-19/h3-13,15H,14H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide?
3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide has a molecular weight of 485.35 g/mol, XLogP of 6.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 26159082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).