N-(4-bromophenyl)-2-(diethylamino)acetamide

C12H17BrN2O — CID 735644

IUPACN-(4-bromophenyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-15(4-2)9-12(16)14-11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyXPYYSODZGKVELO-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.73
Rot. Bonds5

About N-(4-bromophenyl)-2-(diethylamino)acetamide

N-(4-bromophenyl)-2-(diethylamino)acetamide (PubChem CID 735644) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(diethylamino)acetamide
PubChem CID735644
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-(4-bromophenyl)-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H17BrN2O/c1-3-15(4-2)9-12(16)14-11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,14,16)
InChIKeyXPYYSODZGKVELO-UHFFFAOYSA-N
XLogP2.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(diethylamino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(diethylamino)acetamide (CID 735644) is N-(4-bromophenyl)-2-(diethylamino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(diethylamino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(diethylamino)acetamide?
The InChIKey is XPYYSODZGKVELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-3-15(4-2)9-12(16)14-11-7-5-10(13)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,14,16).
What are the key properties of N-(4-bromophenyl)-2-(diethylamino)acetamide?
N-(4-bromophenyl)-2-(diethylamino)acetamide has a molecular weight of 285.19 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(diethylamino)acetamide is sourced from PubChem (CID 735644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).