3-(3-bromoprop-2-ynoylamino)propanamide

C6H7BrN2O2 — CID 130612008

IUPAC3-(3-bromoprop-2-ynoylamino)propanamide
SMILESNC(=O)CCNC(=O)C#CBr
InChIInChI=1S/C6H7BrN2O2/c7-3-1-6(11)9-4-2-5(8)10/h2,4H2,(H2,8,10)(H,9,11)
InChIKeyNIRNFXAKNCNDHZ-UHFFFAOYSA-N
MW219.04 g/mol
LogP-0.67
Rot. Bonds3

About 3-(3-bromoprop-2-ynoylamino)propanamide

3-(3-bromoprop-2-ynoylamino)propanamide (PubChem CID 130612008) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 3-(3-bromoprop-2-ynoylamino)propanamide.

Molecular Properties

Compound Name3-(3-bromoprop-2-ynoylamino)propanamide
PubChem CID130612008
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name3-(3-bromoprop-2-ynoylamino)propanamide
SMILESNC(=O)CCNC(=O)C#CBr
InChIInChI=1S/C6H7BrN2O2/c7-3-1-6(11)9-4-2-5(8)10/h2,4H2,(H2,8,10)(H,9,11)
InChIKeyNIRNFXAKNCNDHZ-UHFFFAOYSA-N
XLogP-0.67
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-bromoprop-2-ynoylamino)propanamide 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

3-bromo-N-(4-hydroxybutyl)prop-2-ynamide
CID 131208647
3-bromo-N-heptylprop-2-ynamide
CID 19434641
3-(3-hydroxypropanoylamino)propanamide
CID 149237763
4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid
CID 61202832
3-bromo-N-(2-bromoprop-2-enyl)prop-2-ynamide
CID 130665491
3-(prop-2-ynylamino)propanamide
CID 43090029
N-(3-amino-3-oxopropyl)-2-cyano-2-ethylbutanamide
CID 55207876
N-[2-(carbamoylamino)ethyl]but-2-ynamide
CID 130637362
3-(but-2-ynoylamino)propanoic acid
CID 107986385
5-(carbamoylamino)pentanamide;hydrochloride
CID 175794567
4-[(3-amino-3-oxopropyl)carbamoyl]benzoic acid
CID 43553914
N-(3-amino-3-oxopropyl)-2,2-dimethylpentanamide
CID 130272228

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromoprop-2-ynoylamino)propanamide?
The IUPAC name of 3-(3-bromoprop-2-ynoylamino)propanamide (CID 130612008) is 3-(3-bromoprop-2-ynoylamino)propanamide.
What is the SMILES notation for 3-(3-bromoprop-2-ynoylamino)propanamide?
The canonical SMILES for 3-(3-bromoprop-2-ynoylamino)propanamide is NC(=O)CCNC(=O)C#CBr.
What is the InChIKey of 3-(3-bromoprop-2-ynoylamino)propanamide?
The InChIKey is NIRNFXAKNCNDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c7-3-1-6(11)9-4-2-5(8)10/h2,4H2,(H2,8,10)(H,9,11).
What are the key properties of 3-(3-bromoprop-2-ynoylamino)propanamide?
3-(3-bromoprop-2-ynoylamino)propanamide has a molecular weight of 219.04 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromoprop-2-ynoylamino)propanamide is sourced from PubChem (CID 130612008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).