N-(3,3-dibromopropyl)formamide

C4H7Br2NO — CID 118574416

IUPACN-(3,3-dibromopropyl)formamide
SMILESO=CNCCC(Br)Br
InChIInChI=1S/C4H7Br2NO/c5-4(6)1-2-7-3-8/h3-4H,1-2H2,(H,7,8)
InChIKeySPKDOFQKVCXBIR-UHFFFAOYSA-N
MW244.91 g/mol
LogP1.24
Rot. Bonds4

About N-(3,3-dibromopropyl)formamide

N-(3,3-dibromopropyl)formamide (PubChem CID 118574416) has the molecular formula C4H7Br2NO and a molecular weight of 244.91 g/mol. Its IUPAC name is N-(3,3-dibromopropyl)formamide.

Molecular Properties

Compound NameN-(3,3-dibromopropyl)formamide
PubChem CID118574416
Molecular FormulaC4H7Br2NO
Molecular Weight244.91 g/mol
Exact Mass242.89
IUPAC NameN-(3,3-dibromopropyl)formamide
SMILESO=CNCCC(Br)Br
InChIInChI=1S/C4H7Br2NO/c5-4(6)1-2-7-3-8/h3-4H,1-2H2,(H,7,8)
InChIKeySPKDOFQKVCXBIR-UHFFFAOYSA-N
XLogP1.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.91
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3,3-dibromopropyl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-formamidoethylamino)ethyl]formamide
CID 89321401
N-(3-hydroxyhexyl)formamide
CID 54084231
N-(3-hydroxy-4-methoxybutyl)formamide
CID 106243326
N-[(3S)-3-amino-5,5-dimethylhexyl]formamide
CID 140963974
N-(3-formyl-8-oxooctyl)formamide
CID 145131149
ethane;N-[3-(methylamino)hexyl]formamide
CID 142947106
N-(5-formamidohexyl)formamide
CID 154679922
N-[4-(methylamino)pentyl]formamide
CID 153396942
N-(2-hydroxyethyl)formamide;methane
CID 157415212
N-(2-hydrazinylethyl)formamide
CID 89116528
N-(5-methylhept-6-enyl)formamide
CID 87378048
N-(5-heptyltridecyl)formamide
CID 166649045

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dibromopropyl)formamide?
The IUPAC name of N-(3,3-dibromopropyl)formamide (CID 118574416) is N-(3,3-dibromopropyl)formamide.
What is the SMILES notation for N-(3,3-dibromopropyl)formamide?
The canonical SMILES for N-(3,3-dibromopropyl)formamide is O=CNCCC(Br)Br.
What is the InChIKey of N-(3,3-dibromopropyl)formamide?
The InChIKey is SPKDOFQKVCXBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Br2NO/c5-4(6)1-2-7-3-8/h3-4H,1-2H2,(H,7,8).
What are the key properties of N-(3,3-dibromopropyl)formamide?
N-(3,3-dibromopropyl)formamide has a molecular weight of 244.91 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dibromopropyl)formamide is sourced from PubChem (CID 118574416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).