3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide

C16H15BrFNO2 — CID 17355174

IUPAC3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1Br
InChIInChI=1S/C16H15BrFNO2/c1-10(2)21-15-8-3-11(9-14(15)17)16(20)19-13-6-4-12(18)5-7-13/h3-10H,1-2H3,(H,19,20)
InChIKeyRUMWLMRQWIWPQT-UHFFFAOYSA-N
MW352.20 g/mol
LogP4.63
Rot. Bonds4

About 3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide

3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide (PubChem CID 17355174) has the molecular formula C16H15BrFNO2 and a molecular weight of 352.20 g/mol. Its IUPAC name is 3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide
PubChem CID17355174
Molecular FormulaC16H15BrFNO2
Molecular Weight352.20 g/mol
Exact Mass351.03
IUPAC Name3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1Br
InChIInChI=1S/C16H15BrFNO2/c1-10(2)21-15-8-3-11(9-14(15)17)16(20)19-13-6-4-12(18)5-7-13/h3-10H,1-2H3,(H,19,20)
InChIKeyRUMWLMRQWIWPQT-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide
CID 17355171
N-[4-[[(3-bromo-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 17355526
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
3-bromo-N-(4-fluorophenyl)-4-propoxybenzamide
CID 17342674
3-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 26159082
3-bromo-N-[[4-(methylcarbamoyl)phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 28642963
3-bromo-N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-4-propan-2-yloxybenzamide
CID 17235289
N-[4-[[(3-bromo-4-propan-2-yloxybenzoyl)amino]carbamoyl]phenyl]-2-methylbenzamide
CID 17355494
N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3-bromo-4-propan-2-yloxybenzamide
CID 17356122
3-bromo-N-(2,5-dimethylphenyl)-4-propan-2-yloxybenzamide
CID 17355192
3-bromo-4-methoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150898
3-bromo-N-(2,4-dimethylphenyl)-4-propan-2-yloxybenzamide
CID 17355169

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide?
The IUPAC name of 3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide (CID 17355174) is 3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide?
The InChIKey is RUMWLMRQWIWPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO2/c1-10(2)21-15-8-3-11(9-14(15)17)16(20)19-13-6-4-12(18)5-7-13/h3-10H,1-2H3,(H,19,20).
What are the key properties of 3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide?
3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide has a molecular weight of 352.20 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-fluorophenyl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 17355174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).