2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide

C14H18BrNO2 — CID 103520360

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
SMILESCc1cc(OC(C)C(=O)NC2CC2)cc(C)c1Br
InChIInChI=1S/C14H18BrNO2/c1-8-6-12(7-9(2)13(8)15)18-10(3)14(17)16-11-4-5-11/h6-7,10-11H,4-5H2,1-3H3,(H,16,17)
InChIKeyFVAIHLGCJQIKGH-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.11
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide

2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide (PubChem CID 103520360) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
PubChem CID103520360
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide
SMILESCc1cc(OC(C)C(=O)NC2CC2)cc(C)c1Br
InChIInChI=1S/C14H18BrNO2/c1-8-6-12(7-9(2)13(8)15)18-10(3)14(17)16-11-4-5-11/h6-7,10-11H,4-5H2,1-3H3,(H,16,17)
InChIKeyFVAIHLGCJQIKGH-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopentylpropanamide
CID 107723816
2-(4-bromo-3-methylphenoxy)-N-cyclohexylpropanamide
CID 83133628
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712610
4-[1-(cyclopropylamino)-1-oxopropan-2-yl]oxy-2-methylbenzenesulfonyl chloride
CID 82916560
(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 95712606
2-(4-bromophenoxy)-N-(4-methylcyclohexyl)propanamide
CID 18106450
N-(4-aminocyclohexyl)-2-(4-chloro-3-methylphenoxy)propanamide;hydrochloride
CID 119477645
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
(2S)-N-cyclopropyl-2-naphthalen-2-yloxypropanamide
CID 42561249
2-(3-bromophenoxy)-N-cyclopentylpropanamide
CID 43082983
1-[[(2S)-2-(4-chloro-3,5-dimethylphenoxy)propanoyl]amino]-3-cyclohexylurea
CID 2206816
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide (CID 103520360) is 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide is Cc1cc(OC(C)C(=O)NC2CC2)cc(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide?
The InChIKey is FVAIHLGCJQIKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-8-6-12(7-9(2)13(8)15)18-10(3)14(17)16-11-4-5-11/h6-7,10-11H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide?
2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide has a molecular weight of 312.21 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-N-cyclopropylpropanamide is sourced from PubChem (CID 103520360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).