N-bromo-N-propylformamide

C4H8BrNO — CID 173221456

IUPACN-bromo-N-propylformamide
SMILESCCCN(Br)C=O
InChIInChI=1S/C4H8BrNO/c1-2-3-6(5)4-7/h4H,2-3H2,1H3
InChIKeyRGTAKPBWYFXWQK-UHFFFAOYSA-N
MW166.02 g/mol
LogP1.16
Rot. Bonds3

About N-bromo-N-propylformamide

N-bromo-N-propylformamide (PubChem CID 173221456) has the molecular formula C4H8BrNO and a molecular weight of 166.02 g/mol. Its IUPAC name is N-bromo-N-propylformamide.

Molecular Properties

Compound NameN-bromo-N-propylformamide
PubChem CID173221456
Molecular FormulaC4H8BrNO
Molecular Weight166.02 g/mol
Exact Mass164.98
IUPAC NameN-bromo-N-propylformamide
SMILESCCCN(Br)C=O
InChIInChI=1S/C4H8BrNO/c1-2-3-6(5)4-7/h4H,2-3H2,1H3
InChIKeyRGTAKPBWYFXWQK-UHFFFAOYSA-N
XLogP1.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

S-[methyl(propyl)amino] methanethioate
CID 54385630
N-[2-(dipropylamino)ethyl]-N-methylformamide
CID 123500071
Tripropylamineborane
CID 21315686
N-propoxy-N-propylformamide
CID 142120180
N-bromo-N-propylmethanesulfonamide
CID 118574418
N-(2-methoxyethyl)-N-propylformamide
CID 54522950
N-(methylsulfinylmethyl)-N-propylformamide
CID 91073027
N,N-dimethylformamide;dodecane
CID 174900991
N-hexyl-N-octylformamide
CID 169189817
N-decyl-N-dodecylformamide
CID 174803125
N-methyl-N-pentylformamide
CID 22754748
N-phenyl-N-propylformamide
CID 19362602

Frequently Asked Questions

What is the IUPAC name of N-bromo-N-propylformamide?
The IUPAC name of N-bromo-N-propylformamide (CID 173221456) is N-bromo-N-propylformamide.
What is the SMILES notation for N-bromo-N-propylformamide?
The canonical SMILES for N-bromo-N-propylformamide is CCCN(Br)C=O.
What is the InChIKey of N-bromo-N-propylformamide?
The InChIKey is RGTAKPBWYFXWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrNO/c1-2-3-6(5)4-7/h4H,2-3H2,1H3.
What are the key properties of N-bromo-N-propylformamide?
N-bromo-N-propylformamide has a molecular weight of 166.02 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-propylformamide is sourced from PubChem (CID 173221456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).