2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]acetamide

C13H19BrN2O — CID 654054

IUPAC2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-16(2)9-3-8-15-13(17)10-11-4-6-12(14)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyVDNJSAWSMBQOIX-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.06
Rot. Bonds6

About 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]acetamide

2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 654054) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]acetamide
PubChem CID654054
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]acetamide
SMILESCN(C)CCCNC(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-16(2)9-3-8-15-13(17)10-11-4-6-12(14)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,15,17)
InChIKeyVDNJSAWSMBQOIX-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.06
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-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]acetamide (CID 654054) is 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]acetamide is CN(C)CCCNC(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is VDNJSAWSMBQOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-16(2)9-3-8-15-13(17)10-11-4-6-12(14)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]acetamide?
2-(4-bromophenyl)-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 299.21 g/mol, XLogP of 2.06, 6 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-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 654054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).