N-(1-bromopropan-2-yl)formamide

C4H8BrNO — CID 57167291

IUPACN-(1-bromopropan-2-yl)formamide
SMILESCC(CBr)NC=O
InChIInChI=1S/C4H8BrNO/c1-4(2-5)6-3-7/h3-4H,2H2,1H3,(H,6,7)
InChIKeyFLOFIHGYTWAFJW-UHFFFAOYSA-N
MW166.02 g/mol
LogP0.52
Rot. Bonds3

About N-(1-bromopropan-2-yl)formamide

N-(1-bromopropan-2-yl)formamide (PubChem CID 57167291) has the molecular formula C4H8BrNO and a molecular weight of 166.02 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)formamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)formamide
PubChem CID57167291
Molecular FormulaC4H8BrNO
Molecular Weight166.02 g/mol
Exact Mass164.98
IUPAC NameN-(1-bromopropan-2-yl)formamide
SMILESCC(CBr)NC=O
InChIInChI=1S/C4H8BrNO/c1-4(2-5)6-3-7/h3-4H,2H2,1H3,(H,6,7)
InChIKeyFLOFIHGYTWAFJW-UHFFFAOYSA-N
XLogP0.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.02
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1-bromopropan-2-yl)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-(4-formamidopentan-2-yl)formamide
CID 174912100
N-[(2S)-butan-2-yl]formamide
CID 55285287
N-(1-sulfanylpropan-2-yl)formamide
CID 165129664
N-[(2S)-1-methoxypropan-2-yl]formamide
CID 87302736
N-(5-formamidohexyl)formamide
CID 154679922
N-[(2R)-octan-2-yl]formamide
CID 5478865
2-formamidopropyl nitrite
CID 143381347
N-[5-(dimethylamino)pentan-2-yl]formamide
CID 141096564
propan-2-yl 3-formamidobutanoate
CID 54044866
N-[(2S)-4-(butylamino)butan-2-yl]formamide
CID 143293736
N-[1-(3,4-dimethylphenyl)propan-2-yl]formamide
CID 159115326
(2S)-2-formamidopropanoyl bromide
CID 139696812

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)formamide?
The IUPAC name of N-(1-bromopropan-2-yl)formamide (CID 57167291) is N-(1-bromopropan-2-yl)formamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)formamide?
The canonical SMILES for N-(1-bromopropan-2-yl)formamide is CC(CBr)NC=O.
What is the InChIKey of N-(1-bromopropan-2-yl)formamide?
The InChIKey is FLOFIHGYTWAFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrNO/c1-4(2-5)6-3-7/h3-4H,2H2,1H3,(H,6,7).
What are the key properties of N-(1-bromopropan-2-yl)formamide?
N-(1-bromopropan-2-yl)formamide has a molecular weight of 166.02 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)formamide is sourced from PubChem (CID 57167291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).