2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide

C14H20BrNO2 — CID 2225812

IUPAC2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-11(2)18-9-3-8-16-14(17)10-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyLSUCYCDDJVTYQE-UHFFFAOYSA-N
MW314.22 g/mol
LogP2.92
Rot. Bonds7

About 2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide

2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 2225812) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID2225812
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C14H20BrNO2/c1-11(2)18-9-3-8-16-14(17)10-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyLSUCYCDDJVTYQE-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide (CID 2225812) is 2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is LSUCYCDDJVTYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-11(2)18-9-3-8-16-14(17)10-12-4-6-13(15)7-5-12/h4-7,11H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide?
2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 314.22 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 2225812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).