N-bromo-N-methylpropanamide

C4H8BrNO — CID 123781354

IUPACN-bromo-N-methylpropanamide
SMILESCCC(=O)N(C)Br
InChIInChI=1S/C4H8BrNO/c1-3-4(7)6(2)5/h3H2,1-2H3
InChIKeyAGSQTBWADWVCEP-UHFFFAOYSA-N
MW166.02 g/mol
LogP1.16
Rot. Bonds1

About N-bromo-N-methylpropanamide

N-bromo-N-methylpropanamide (PubChem CID 123781354) has the molecular formula C4H8BrNO and a molecular weight of 166.02 g/mol. Its IUPAC name is N-bromo-N-methylpropanamide.

Molecular Properties

Compound NameN-bromo-N-methylpropanamide
PubChem CID123781354
Molecular FormulaC4H8BrNO
Molecular Weight166.02 g/mol
Exact Mass164.98
IUPAC NameN-bromo-N-methylpropanamide
SMILESCCC(=O)N(C)Br
InChIInChI=1S/C4H8BrNO/c1-3-4(7)6(2)5/h3H2,1-2H3
InChIKeyAGSQTBWADWVCEP-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.02
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[methyl-bis[methyl(propanoyl)amino]silyl]propanamide
CID 178078649
N-methoxy-N-methylpropanamide
CID 11344007
N-acetyl-N-methylpropanamide;ethane
CID 143328121
N-(2-bromopropyl)-N-methylpropanamide
CID 80665081
bis(N-ethyl-N-methylpropanamide);pentan-3-one
CID 158092722
ethane;2-[methyl(propanoyl)amino]acetic acid
CID 170570723
N-but-1-en-2-yl-N-methylpropanamide
CID 59841328
N-methylsulfanyl-N-propanoylpropanamide
CID 174372922
ethane;N-(2-hydroxyethyl)-N-methylpropanamide
CID 143051262
N-(2-hydroxypropyl)-N-methylpropanamide
CID 18720717
N,N-dibromobutanamide
CID 154147629
2-[carboxymethyl(propanoyl)amino]acetic acid
CID 18934284

Frequently Asked Questions

What is the IUPAC name of N-bromo-N-methylpropanamide?
The IUPAC name of N-bromo-N-methylpropanamide (CID 123781354) is N-bromo-N-methylpropanamide.
What is the SMILES notation for N-bromo-N-methylpropanamide?
The canonical SMILES for N-bromo-N-methylpropanamide is CCC(=O)N(C)Br.
What is the InChIKey of N-bromo-N-methylpropanamide?
The InChIKey is AGSQTBWADWVCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrNO/c1-3-4(7)6(2)5/h3H2,1-2H3.
What are the key properties of N-bromo-N-methylpropanamide?
N-bromo-N-methylpropanamide has a molecular weight of 166.02 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-methylpropanamide is sourced from PubChem (CID 123781354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).