N-(2-bromopropyl)propanamide

C6H12BrNO — CID 87559070

IUPACN-(2-bromopropyl)propanamide
SMILESCCC(=O)NCC(C)Br
InChIInChI=1S/C6H12BrNO/c1-3-6(9)8-4-5(2)7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyIOBAEDQTUYVTES-UHFFFAOYSA-N
MW194.07 g/mol
LogP1.30
Rot. Bonds3

About N-(2-bromopropyl)propanamide

N-(2-bromopropyl)propanamide (PubChem CID 87559070) has the molecular formula C6H12BrNO and a molecular weight of 194.07 g/mol. Its IUPAC name is N-(2-bromopropyl)propanamide.

Molecular Properties

Compound NameN-(2-bromopropyl)propanamide
PubChem CID87559070
Molecular FormulaC6H12BrNO
Molecular Weight194.07 g/mol
Exact Mass193.01
IUPAC NameN-(2-bromopropyl)propanamide
SMILESCCC(=O)NCC(C)Br
InChIInChI=1S/C6H12BrNO/c1-3-6(9)8-4-5(2)7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyIOBAEDQTUYVTES-UHFFFAOYSA-N
XLogP1.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(propanoylamino)propyl]propanamide
CID 3569677
N-(2-hydroxy-3-methylbutyl)propanamide
CID 115701495
ethane;N-(2-methylbutyl)propanamide
CID 177054062
3-methyl-4-(propanoylamino)butanoic acid
CID 81063139
ethane;N-(3-hydroxy-2-methylpropyl)propanamide
CID 155720922
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
N-[(2R)-2,3-dihydroxypropyl]propanamide
CID 88953699
N-[4-(dimethylamino)-2,3-dimethylbutyl]propanamide
CID 166075465
2-amino-3-(propanoylamino)propanoic acid
CID 59142099
N-bromopropanamide
CID 15647963
2-methylpropane;2-(propanoylamino)acetic acid
CID 144657860
N-(2-bromopropyl)-2-(2-chlorophenyl)acetamide
CID 114308630

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)propanamide?
The IUPAC name of N-(2-bromopropyl)propanamide (CID 87559070) is N-(2-bromopropyl)propanamide.
What is the SMILES notation for N-(2-bromopropyl)propanamide?
The canonical SMILES for N-(2-bromopropyl)propanamide is CCC(=O)NCC(C)Br.
What is the InChIKey of N-(2-bromopropyl)propanamide?
The InChIKey is IOBAEDQTUYVTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrNO/c1-3-6(9)8-4-5(2)7/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of N-(2-bromopropyl)propanamide?
N-(2-bromopropyl)propanamide has a molecular weight of 194.07 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)propanamide is sourced from PubChem (CID 87559070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).