2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide

C12H17BrN2O — CID 163584070

IUPAC2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide
SMILESCNC(C)Cc1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C12H17BrN2O/c1-9(14-2)7-10-3-5-11(6-4-10)15-12(16)8-13/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyGJZRAYCXWXBSPG-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.17
Rot. Bonds5

About 2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide

2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide (PubChem CID 163584070) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is 2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide
PubChem CID163584070
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC Name2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide
SMILESCNC(C)Cc1ccc(NC(=O)CBr)cc1
InChIInChI=1S/C12H17BrN2O/c1-9(14-2)7-10-3-5-11(6-4-10)15-12(16)8-13/h3-6,9,14H,7-8H2,1-2H3,(H,15,16)
InChIKeyGJZRAYCXWXBSPG-UHFFFAOYSA-N
XLogP2.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.17
H-Bond Donors ≤ 52
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-[4-(hydroxymethyl)phenyl]acetamide
CID 23625045
2-bromo-N-(4-methylphenyl)acetamide;ethane
CID 143583882
[4-[(2-bromoacetyl)amino]phenyl]carbamic acid
CID 18543497
3-[4-(2-methylpropyl)anilino]-3-oxopropanoic acid
CID 115163213
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
CID 63680454
2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide
CID 153321957
N-[4-[2-(cyclopropylamino)propyl]phenyl]propanamide
CID 82262619
2-bromo-N-[4-[4-(3-methylbutoxy)anilino]phenyl]acetamide
CID 24832146
methyl 4-[(2-bromoacetyl)amino]benzoate
CID 3416406
bis(4-[(2S)-2-(methylamino)propyl]phenol);sulfuric acid
CID 76968318
3-bromo-N-[4-[[4-(3-bromopropanoylamino)phenyl]methyl]phenyl]propanamide
CID 139955588
[4-(2-methylpropyl)phenyl]carbamic acid
CID 115170610

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide?
The IUPAC name of 2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide (CID 163584070) is 2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide?
The canonical SMILES for 2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide is CNC(C)Cc1ccc(NC(=O)CBr)cc1.
What is the InChIKey of 2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide?
The InChIKey is GJZRAYCXWXBSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-9(14-2)7-10-3-5-11(6-4-10)15-12(16)8-13/h3-6,9,14H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide?
2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide has a molecular weight of 285.19 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[2-(methylamino)propyl]phenyl]acetamide is sourced from PubChem (CID 163584070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).