2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide

C11H11BrClNO2 — CID 2563098

IUPAC2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NC1CC1
InChIInChI=1S/C11H11BrClNO2/c12-9-5-7(13)1-4-10(9)16-6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,14,15)
InChIKeyQTAJIKWVMQZHKU-UHFFFAOYSA-N
MW304.57 g/mol
LogP2.76
Rot. Bonds4

About 2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide

2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide (PubChem CID 2563098) has the molecular formula C11H11BrClNO2 and a molecular weight of 304.57 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide
PubChem CID2563098
Molecular FormulaC11H11BrClNO2
Molecular Weight304.57 g/mol
Exact Mass302.97
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide
SMILESO=C(COc1ccc(Cl)cc1Br)NC1CC1
InChIInChI=1S/C11H11BrClNO2/c12-9-5-7(13)1-4-10(9)16-6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,14,15)
InChIKeyQTAJIKWVMQZHKU-UHFFFAOYSA-N
XLogP2.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.57
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-cyclopropylacetamide
CID 2523046
2-(4-chlorophenoxy)-N-cyclopropyl-2-methylpropanamide
CID 17476178
2-(2-bromophenoxy)-N-cyclopentylacetamide
CID 729424
2-(4-bromo-2-chlorophenoxy)-N-cyclohexylacetamide
CID 885937
4-[(2-Bromo-4-chlorophenoxy)acetyl]-1-piperazinecarbaldehyde
CID 1048021
N-allyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2234817
3-(2-bromo-4-chlorophenoxy)-N-(3-methoxypropyl)-1-propanamine
CID 2581608
2-(4-bromo-2-chlorophenoxy)-N-(3-methoxypropyl)acetamide
CID 2906779
[3-(2-Bromo-4-chlorophenoxy)propyl]isopropylamine oxalate
CID 2922589
2-{[3-(2-Bromo-4-chlorophenoxy)propyl]amino}ethanol ethanedioate (salt)
CID 2924434
CID 2936079
CID 2936079
2-(2-chlorophenoxy)-N-cyclopropylacetamide
CID 977691

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide (CID 2563098) is 2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide is O=C(COc1ccc(Cl)cc1Br)NC1CC1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide?
The InChIKey is QTAJIKWVMQZHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO2/c12-9-5-7(13)1-4-10(9)16-6-11(15)14-8-2-3-8/h1,4-5,8H,2-3,6H2,(H,14,15).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide?
2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide has a molecular weight of 304.57 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-cyclopropylacetamide is sourced from PubChem (CID 2563098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).