2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide

C14H13BrClNO3 — CID 2970667

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESCC(Oc1ccc(Br)cc1Cl)C(=O)NCc1ccco1
InChIInChI=1S/C14H13BrClNO3/c1-9(14(18)17-8-11-3-2-6-19-11)20-13-5-4-10(15)7-12(13)16/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyLNKBWYUQFBLHIU-UHFFFAOYSA-N
MW358.62 g/mol
LogP3.78
Rot. Bonds5

About 2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide

2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide (PubChem CID 2970667) has the molecular formula C14H13BrClNO3 and a molecular weight of 358.62 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide
PubChem CID2970667
Molecular FormulaC14H13BrClNO3
Molecular Weight358.62 g/mol
Exact Mass356.98
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESCC(Oc1ccc(Br)cc1Cl)C(=O)NCc1ccco1
InChIInChI=1S/C14H13BrClNO3/c1-9(14(18)17-8-11-3-2-6-19-11)20-13-5-4-10(15)7-12(13)16/h2-7,9H,8H2,1H3,(H,17,18)
InChIKeyLNKBWYUQFBLHIU-UHFFFAOYSA-N
XLogP3.78
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.62
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 104707302
2-(2-amino-5-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 62304320
2-(3-chloro-2-cyanophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 114322470
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 19191627
1-[[(2S)-2-(3-bromophenoxy)propanoyl]amino]-3-(furan-2-ylmethyl)thiourea
CID 8770692
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7478024
(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 9116644
5-bromo-2-chloro-N-(furan-2-ylmethyl)benzamide
CID 896756
(2S)-2-(4-bromo-2-chlorophenoxy)-N-carbamoylpropanamide
CID 2638136
2-(3-chloro-4-methoxyanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088814
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide (CID 2970667) is 2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide is CC(Oc1ccc(Br)cc1Cl)C(=O)NCc1ccco1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is LNKBWYUQFBLHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3/c1-9(14(18)17-8-11-3-2-6-19-11)20-13-5-4-10(15)7-12(13)16/h2-7,9H,8H2,1H3,(H,17,18).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide?
2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 358.62 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 2970667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).