N-(2-bromopropyl)-N-methylpropanamide

C7H14BrNO — CID 80665081

IUPACN-(2-bromopropyl)-N-methylpropanamide
SMILESCCC(=O)N(C)CC(C)Br
InChIInChI=1S/C7H14BrNO/c1-4-7(10)9(3)5-6(2)8/h6H,4-5H2,1-3H3
InChIKeyMJLXJSSOAZGFMZ-UHFFFAOYSA-N
MW208.10 g/mol
LogP1.64
Rot. Bonds3

About N-(2-bromopropyl)-N-methylpropanamide

N-(2-bromopropyl)-N-methylpropanamide (PubChem CID 80665081) has the molecular formula C7H14BrNO and a molecular weight of 208.10 g/mol. Its IUPAC name is N-(2-bromopropyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-N-methylpropanamide
PubChem CID80665081
Molecular FormulaC7H14BrNO
Molecular Weight208.10 g/mol
Exact Mass207.03
IUPAC NameN-(2-bromopropyl)-N-methylpropanamide
SMILESCCC(=O)N(C)CC(C)Br
InChIInChI=1S/C7H14BrNO/c1-4-7(10)9(3)5-6(2)8/h6H,4-5H2,1-3H3
InChIKeyMJLXJSSOAZGFMZ-UHFFFAOYSA-N
XLogP1.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
N-(2-bromopropyl)-N-methylpentanamide
CID 80666538
N-methyl-N-(2-methylbutyl)propanamide
CID 20674100
N-(2-bromopropyl)-N-methyloctanamide
CID 80665103
N-(2-hydroxypropyl)-N-methylpropanamide;N-methyl-N-(2-oxoethyl)propanamide
CID 54420661
ethyl 4-bromo-5-[methyl(propanoyl)amino]pentanoate
CID 19856165
N-(2-bromopropyl)-N-methyl-3-phenylpropanamide
CID 80666025
N-(2-bromopropyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 80666327
N-(2-bromopropyl)-2-(4-fluorophenyl)-N-methylacetamide
CID 80665709
N-(2-bromopropyl)-1-ethyl-N-methylcyclopentane-1-carboxamide
CID 80665189
N,2-dimethyl-N-[2-[methyl(propanoyl)amino]ethyl]propanamide
CID 139308072
2-bromo-N-methyl-N-(2-methylpropyl)propanamide
CID 107903182

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-N-methylpropanamide?
The IUPAC name of N-(2-bromopropyl)-N-methylpropanamide (CID 80665081) is N-(2-bromopropyl)-N-methylpropanamide.
What is the SMILES notation for N-(2-bromopropyl)-N-methylpropanamide?
The canonical SMILES for N-(2-bromopropyl)-N-methylpropanamide is CCC(=O)N(C)CC(C)Br.
What is the InChIKey of N-(2-bromopropyl)-N-methylpropanamide?
The InChIKey is MJLXJSSOAZGFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14BrNO/c1-4-7(10)9(3)5-6(2)8/h6H,4-5H2,1-3H3.
What are the key properties of N-(2-bromopropyl)-N-methylpropanamide?
N-(2-bromopropyl)-N-methylpropanamide has a molecular weight of 208.10 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-N-methylpropanamide is sourced from PubChem (CID 80665081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).