N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide

C15H13BrFNO2 — CID 3305617

IUPACN-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO2/c1-10(20-14-8-4-12(17)5-9-14)15(19)18-13-6-2-11(16)3-7-13/h2-10H,1H3,(H,18,19)
InChIKeyCUCNQJOBCLXOFC-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.99
Rot. Bonds4

About N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide

N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide (PubChem CID 3305617) has the molecular formula C15H13BrFNO2 and a molecular weight of 338.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
PubChem CID3305617
Molecular FormulaC15H13BrFNO2
Molecular Weight338.18 g/mol
Exact Mass337.01
IUPAC NameN-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
SMILESCC(Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNO2/c1-10(20-14-8-4-12(17)5-9-14)15(19)18-13-6-2-11(16)3-7-13/h2-10H,1H3,(H,18,19)
InChIKeyCUCNQJOBCLXOFC-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
1-[[(2R)-2-(4-bromophenoxy)propanoyl]amino]-3-(4-fluorophenyl)thiourea
CID 9469334
(2S)-2-(3-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7818352
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
4-[2-(4-fluorophenoxy)propanoylamino]benzoic acid
CID 21367225
(2R)-N-(4-fluorophenyl)-2-(4-methylsulfanylphenoxy)propanamide
CID 7893786
2-(4-tert-butylphenoxy)-N-(4-fluorophenyl)propanamide
CID 2938601
methyl 4-[2-(4-fluorophenoxy)propanoylamino]benzoate
CID 2934711
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide (CID 3305617) is N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide is CC(Oc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide?
The InChIKey is CUCNQJOBCLXOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFNO2/c1-10(20-14-8-4-12(17)5-9-14)15(19)18-13-6-2-11(16)3-7-13/h2-10H,1H3,(H,18,19).
What are the key properties of N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide?
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide has a molecular weight of 338.18 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 3305617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).