carbamic acid;2-chloroacetamide

C3H7ClN2O3 — CID 87428505

IUPACcarbamic acid;2-chloroacetamide
SMILESNC(=O)CCl.NC(=O)O
InChIInChI=1S/C2H4ClNO.CH3NO2/c3-1-2(4)5;2-1(3)4/h1H2,(H2,4,5);2H2,(H,3,4)
InChIKeyOLAZYWWQCKMNKL-UHFFFAOYSA-N
MW154.55 g/mol
LogP-0.67
Rot. Bonds1

About carbamic acid;2-chloroacetamide

carbamic acid;2-chloroacetamide (PubChem CID 87428505) has the molecular formula C3H7ClN2O3 and a molecular weight of 154.55 g/mol. Its IUPAC name is carbamic acid;2-chloroacetamide.

Molecular Properties

Compound Namecarbamic acid;2-chloroacetamide
PubChem CID87428505
Molecular FormulaC3H7ClN2O3
Molecular Weight154.55 g/mol
Exact Mass154.01
IUPAC Namecarbamic acid;2-chloroacetamide
SMILESNC(=O)CCl.NC(=O)O
InChIInChI=1S/C2H4ClNO.CH3NO2/c3-1-2(4)5;2-1(3)4/h1H2,(H2,4,5);2H2,(H,3,4)
InChIKeyOLAZYWWQCKMNKL-UHFFFAOYSA-N
XLogP-0.67
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.55
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium;2-chloroacetamide;hydride
CID 175092720
carbamic acid;copper
CID 87387020
carbamic acid;yttrium
CID 20702274
carbamic acid;plumbane
CID 173013217
carbamic acid;cobalt
CID 87314881
carbamic acid;iridium
CID 58983452
carbamic acid;indigane
CID 174683885
carbamic acid fluoride
CID 169488270
nonaheptacontasodium;nonakis(2-chloroacetic acid)
CID 173182170
2-chloroacetic acid;silver
CID 87585147
carbamic acid;formaldehyde
CID 173133375
Carbamic acid--silanol (1/1)
CID 78063810

Frequently Asked Questions

What is the IUPAC name of carbamic acid;2-chloroacetamide?
The IUPAC name of carbamic acid;2-chloroacetamide (CID 87428505) is carbamic acid;2-chloroacetamide.
What is the SMILES notation for carbamic acid;2-chloroacetamide?
The canonical SMILES for carbamic acid;2-chloroacetamide is NC(=O)CCl.NC(=O)O.
What is the InChIKey of carbamic acid;2-chloroacetamide?
The InChIKey is OLAZYWWQCKMNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClNO.CH3NO2/c3-1-2(4)5;2-1(3)4/h1H2,(H2,4,5);2H2,(H,3,4).
What are the key properties of carbamic acid;2-chloroacetamide?
carbamic acid;2-chloroacetamide has a molecular weight of 154.55 g/mol, XLogP of -0.67, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;2-chloroacetamide is sourced from PubChem (CID 87428505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).