2-[(1-amino-2-chloroethylidene)amino]acetamide

C4H8ClN3O — CID 55291375

IUPAC2-[(1-amino-2-chloroethylidene)amino]acetamide
SMILESNC(=O)C/N=C(/N)CCl
InChIInChI=1S/C4H8ClN3O/c5-1-3(6)8-2-4(7)9/h1-2H2,(H2,6,8)(H2,7,9)
InChIKeyFTAWQSWFGFLAQE-UHFFFAOYSA-N
MW149.58 g/mol
LogP-0.93
Rot. Bonds3

About 2-[(1-amino-2-chloroethylidene)amino]acetamide

2-[(1-amino-2-chloroethylidene)amino]acetamide (PubChem CID 55291375) has the molecular formula C4H8ClN3O and a molecular weight of 149.58 g/mol. Its IUPAC name is 2-[(1-amino-2-chloroethylidene)amino]acetamide.

Molecular Properties

Compound Name2-[(1-amino-2-chloroethylidene)amino]acetamide
PubChem CID55291375
Molecular FormulaC4H8ClN3O
Molecular Weight149.58 g/mol
Exact Mass149.04
IUPAC Name2-[(1-amino-2-chloroethylidene)amino]acetamide
SMILESNC(=O)C/N=C(/N)CCl
InChIInChI=1S/C4H8ClN3O/c5-1-3(6)8-2-4(7)9/h1-2H2,(H2,6,8)(H2,7,9)
InChIKeyFTAWQSWFGFLAQE-UHFFFAOYSA-N
XLogP-0.93
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-ethylethanimidamide;hydrochloride
CID 14317600
carbamic acid;2-chloroacetamide
CID 87428505
sodium;2-chloroacetamide;hydride
CID 175092720
2-chloro-N'-(2-hydroxyethyl)ethanimidamide;hydrochloride
CID 86626230
2-chloro-N'-(5-oxohexyl)ethanimidamide
CID 59366474
2-[(1-amino-2,2-dimethylpropylidene)amino]acetamide
CID 63173866
methyl (2S)-2-acetamido-4-[(1-amino-2-chloroethylidene)amino]butanoate
CID 71718659
2-[[amino-(2-methylpropylamino)methylidene]amino]acetamide
CID 62364363
[(1-amino-2-chloroethylidene)amino] 2-methoxyacetate
CID 112756172
4-[(1-amino-2-chloroethylidene)amino]benzamide
CID 169369705
2-[(2-chloroacetyl)amino]acetamide
CID 28605345
2-chloro-N'-(5-cyano-2-fluorophenyl)ethanimidamide
CID 169365118

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-chloroethylidene)amino]acetamide?
The IUPAC name of 2-[(1-amino-2-chloroethylidene)amino]acetamide (CID 55291375) is 2-[(1-amino-2-chloroethylidene)amino]acetamide.
What is the SMILES notation for 2-[(1-amino-2-chloroethylidene)amino]acetamide?
The canonical SMILES for 2-[(1-amino-2-chloroethylidene)amino]acetamide is NC(=O)C/N=C(/N)CCl.
What is the InChIKey of 2-[(1-amino-2-chloroethylidene)amino]acetamide?
The InChIKey is FTAWQSWFGFLAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClN3O/c5-1-3(6)8-2-4(7)9/h1-2H2,(H2,6,8)(H2,7,9).
What are the key properties of 2-[(1-amino-2-chloroethylidene)amino]acetamide?
2-[(1-amino-2-chloroethylidene)amino]acetamide has a molecular weight of 149.58 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-chloroethylidene)amino]acetamide is sourced from PubChem (CID 55291375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).