2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide

C14H19BrClNO2 — CID 2230655

IUPAC2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)COc1ccc(Br)cc1Cl)C(C)C
InChIInChI=1S/C14H19BrClNO2/c1-9(2)17(10(3)4)14(18)8-19-13-6-5-11(15)7-12(13)16/h5-7,9-10H,8H2,1-4H3
InChIKeyAVAVUVPAURTGCM-UHFFFAOYSA-N
MW348.67 g/mol
LogP4.13
Rot. Bonds5

About 2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide

2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide (PubChem CID 2230655) has the molecular formula C14H19BrClNO2 and a molecular weight of 348.67 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide
PubChem CID2230655
Molecular FormulaC14H19BrClNO2
Molecular Weight348.67 g/mol
Exact Mass347.03
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)COc1ccc(Br)cc1Cl)C(C)C
InChIInChI=1S/C14H19BrClNO2/c1-9(2)17(10(3)4)14(18)8-19-13-6-5-11(15)7-12(13)16/h5-7,9-10H,8H2,1-4H3
InChIKeyAVAVUVPAURTGCM-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.67
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide (CID 2230655) is 2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)COc1ccc(Br)cc1Cl)C(C)C.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide?
The InChIKey is AVAVUVPAURTGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2/c1-9(2)17(10(3)4)14(18)8-19-13-6-5-11(15)7-12(13)16/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide has a molecular weight of 348.67 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 2230655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).