2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide

C13H19BrN2O — CID 107904840

IUPAC2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
SMILESCC(Br)C(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C13H19BrN2O/c1-10(14)13(17)15-12(9-16(2)3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)
InChIKeyJUJCBPJVBCUTIE-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.19
Rot. Bonds5

About 2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide

2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide (PubChem CID 107904840) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
PubChem CID107904840
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide
SMILESCC(Br)C(=O)NC(CN(C)C)c1ccccc1
InChIInChI=1S/C13H19BrN2O/c1-10(14)13(17)15-12(9-16(2)3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17)
InChIKeyJUJCBPJVBCUTIE-UHFFFAOYSA-N
XLogP2.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(1R)-1-phenylpropyl]propanamide
CID 165438304
3-amino-N-[2-(dimethylamino)-1-phenylethyl]-2-methyl-3-phenylpropanamide
CID 119836141
2-amino-N-[2-(dimethylamino)-1-phenylethyl]butanamide
CID 61248731
phenyl N-[2-(dimethylamino)-1-phenylethyl]carbamate
CID 60676334
1-[2-(dimethylamino)-1-phenylethyl]-3-(5-methylhexan-2-yl)urea
CID 78881535
N-[2-(dimethylamino)-1-phenylethyl]-3-propan-2-yloxypropanamide
CID 86929497
2-(2-bromo-4-fluorophenoxy)-N-[2-(dimethylamino)-1-phenylethyl]propanamide
CID 78873922
4-chloro-N-[(1R)-2-(dimethylamino)-1-phenylethyl]benzamide
CID 8936052
1-[2-(dimethylamino)-1-phenylethyl]-3-(2-nitrophenyl)urea
CID 42919236
5-amino-N-[2-(dimethylamino)-1-phenylethyl]hexanamide
CID 82851272
1-[2-(dimethylamino)-1-phenylethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 86993436
1-[1-(4-chlorophenyl)ethyl]-3-[2-(dimethylamino)-1-phenylethyl]urea
CID 78881674

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide?
The IUPAC name of 2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide (CID 107904840) is 2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide.
What is the SMILES notation for 2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide?
The canonical SMILES for 2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide is CC(Br)C(=O)NC(CN(C)C)c1ccccc1.
What is the InChIKey of 2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide?
The InChIKey is JUJCBPJVBCUTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10(14)13(17)15-12(9-16(2)3)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,17).
What are the key properties of 2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide?
2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide has a molecular weight of 299.21 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(dimethylamino)-1-phenylethyl]propanamide is sourced from PubChem (CID 107904840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).