2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide

C14H17BrClNO3 — CID 2970318

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(Br)cc1Cl)C1CCCO1
InChIInChI=1S/C14H17BrClNO3/c1-9(12-3-2-6-19-12)17-14(18)8-20-13-5-4-10(15)7-11(13)16/h4-5,7,9,12H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyXFRHPEJVPKADCP-UHFFFAOYSA-N
MW362.65 g/mol
LogP3.16
Rot. Bonds5

About 2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide (PubChem CID 2970318) has the molecular formula C14H17BrClNO3 and a molecular weight of 362.65 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide
PubChem CID2970318
Molecular FormulaC14H17BrClNO3
Molecular Weight362.65 g/mol
Exact Mass361.01
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide
SMILESCC(NC(=O)COc1ccc(Br)cc1Cl)C1CCCO1
InChIInChI=1S/C14H17BrClNO3/c1-9(12-3-2-6-19-12)17-14(18)8-20-13-5-4-10(15)7-11(13)16/h4-5,7,9,12H,2-3,6,8H2,1H3,(H,17,18)
InChIKeyXFRHPEJVPKADCP-UHFFFAOYSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.65
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 40636423
4-(2,4-dichlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]butanamide
CID 17330428
2-[2-(aminomethyl)phenoxy]-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533761
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9289898
1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-(oxolan-2-ylmethyl)thiourea
CID 4511223
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
3-chloro-4-[2-(1-cyclopropylethylamino)-2-oxoethoxy]benzoic acid
CID 45303918
2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 47113835
2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725921
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2-(4-bromo-2-propan-2-ylphenoxy)acetohydrazide
CID 17189105
(2S)-2-(2,4-dichlorophenoxy)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 27233264
(2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide
CID 124753412

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide (CID 2970318) is 2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide is CC(NC(=O)COc1ccc(Br)cc1Cl)C1CCCO1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide?
The InChIKey is XFRHPEJVPKADCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClNO3/c1-9(12-3-2-6-19-12)17-14(18)8-20-13-5-4-10(15)7-11(13)16/h4-5,7,9,12H,2-3,6,8H2,1H3,(H,17,18).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[1-(oxolan-2-yl)ethyl]acetamide has a molecular weight of 362.65 g/mol, XLogP of 3.16, 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-[1-(oxolan-2-yl)ethyl]acetamide is sourced from PubChem (CID 2970318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).