2-bromo-N-(3-formamidopropyl)acetamide

C6H11BrN2O2 — CID 122608311

IUPAC2-bromo-N-(3-formamidopropyl)acetamide
SMILESO=CNCCCNC(=O)CBr
InChIInChI=1S/C6H11BrN2O2/c7-4-6(11)9-3-1-2-8-5-10/h5H,1-4H2,(H,8,10)(H,9,11)
InChIKeyHVYZZYGMVFGKDA-UHFFFAOYSA-N
MW223.07 g/mol
LogP-0.37
Rot. Bonds6

About 2-bromo-N-(3-formamidopropyl)acetamide

2-bromo-N-(3-formamidopropyl)acetamide (PubChem CID 122608311) has the molecular formula C6H11BrN2O2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 2-bromo-N-(3-formamidopropyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(3-formamidopropyl)acetamide
PubChem CID122608311
Molecular FormulaC6H11BrN2O2
Molecular Weight223.07 g/mol
Exact Mass222.00
IUPAC Name2-bromo-N-(3-formamidopropyl)acetamide
SMILESO=CNCCCNC(=O)CBr
InChIInChI=1S/C6H11BrN2O2/c7-4-6(11)9-3-1-2-8-5-10/h5H,1-4H2,(H,8,10)(H,9,11)
InChIKeyHVYZZYGMVFGKDA-UHFFFAOYSA-N
XLogP-0.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

2-ethoxy-N-(3-formamidopropyl)acetamide
CID 155439472
N-(5-formamidopentyl)-2-propan-2-yloxyacetamide
CID 155740899
2-bromo-N-[3-[2-[2-[3-[(2-bromoacetyl)amino]propoxy]ethoxy]ethoxy]propyl]acetamide
CID 164805844
prop-2-enyl N-[3-[(2-bromoacetyl)amino]propyl]carbamate
CID 140660586
2,2,2-trifluoro-N-(3-formamidopropyl)acetamide
CID 110461270
N-(3-formamidopropyl)-3-oxo-3-phenylpropanamide
CID 110463360
N-[3-[2-[2-(3-formamidopropoxy)ethoxy]ethoxy]propyl]-3-sulfanylpropanamide
CID 126759423
2-bromo-N-[(E)-octadec-9-enyl]acetamide
CID 25125277
6-[(2-bromoacetyl)amino]-N-[2-(methylamino)-2-oxoethyl]hexanamide
CID 134550363
N-(3-formamidopropyl)-N'-prop-2-enyloxamide
CID 108526430
6-[(2-bromoacetyl)amino]-2-methylhexanoic acid
CID 118167390
N-[3-(prop-1-en-2-ylcarbamoylamino)propyl]formamide
CID 108910349

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-formamidopropyl)acetamide?
The IUPAC name of 2-bromo-N-(3-formamidopropyl)acetamide (CID 122608311) is 2-bromo-N-(3-formamidopropyl)acetamide.
What is the SMILES notation for 2-bromo-N-(3-formamidopropyl)acetamide?
The canonical SMILES for 2-bromo-N-(3-formamidopropyl)acetamide is O=CNCCCNC(=O)CBr.
What is the InChIKey of 2-bromo-N-(3-formamidopropyl)acetamide?
The InChIKey is HVYZZYGMVFGKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BrN2O2/c7-4-6(11)9-3-1-2-8-5-10/h5H,1-4H2,(H,8,10)(H,9,11).
What are the key properties of 2-bromo-N-(3-formamidopropyl)acetamide?
2-bromo-N-(3-formamidopropyl)acetamide has a molecular weight of 223.07 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-formamidopropyl)acetamide is sourced from PubChem (CID 122608311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).