N-chloroformamide;hydrochloride

CH3Cl2NO — CID 86592550

IUPACN-chloroformamide;hydrochloride
SMILESCl.O=CNCl
InChIInChI=1S/CH2ClNO.ClH/c2-3-1-4;/h1H,(H,3,4);1H
InChIKeyMRJONIFKDTYEKI-UHFFFAOYSA-N
MW115.95 g/mol
LogP0.31
Rot. Bonds1

About N-chloroformamide;hydrochloride

N-chloroformamide;hydrochloride (PubChem CID 86592550) has the molecular formula CH3Cl2NO and a molecular weight of 115.95 g/mol. Its IUPAC name is N-chloroformamide;hydrochloride.

Molecular Properties

Compound NameN-chloroformamide;hydrochloride
PubChem CID86592550
Molecular FormulaCH3Cl2NO
Molecular Weight115.95 g/mol
Exact Mass114.96
IUPAC NameN-chloroformamide;hydrochloride
SMILESCl.O=CNCl
InChIInChI=1S/CH2ClNO.ClH/c2-3-1-4;/h1H,(H,3,4);1H
InChIKeyMRJONIFKDTYEKI-UHFFFAOYSA-N
XLogP0.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.95
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Chloroformamide
CID 12663091
Formamide;trihydrochloride
CID 20158275
Formamide;dihydrochloride
CID 22397279
Dichloronickel;formamide
CID 159701015
Dichlorocobalt;formamide
CID 160956577
Formamide;manganese(2+);dichloride
CID 161697295
Dichlorotitanium;formamide
CID 174487776
Formylazanide;titanium(3+);dichloride
CID 174487777
N-chloroformamide;hydron
CID 174536545
Formamide;trichlorocobalt
CID 174975223
Calcium;formamide;dichloride
CID 175585018
Calcium;formamide;dichloride
CID 175585019

Frequently Asked Questions

What is the IUPAC name of N-chloroformamide;hydrochloride?
The IUPAC name of N-chloroformamide;hydrochloride (CID 86592550) is N-chloroformamide;hydrochloride.
What is the SMILES notation for N-chloroformamide;hydrochloride?
The canonical SMILES for N-chloroformamide;hydrochloride is Cl.O=CNCl.
What is the InChIKey of N-chloroformamide;hydrochloride?
The InChIKey is MRJONIFKDTYEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2ClNO.ClH/c2-3-1-4;/h1H,(H,3,4);1H.
What are the key properties of N-chloroformamide;hydrochloride?
N-chloroformamide;hydrochloride has a molecular weight of 115.95 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloroformamide;hydrochloride is sourced from PubChem (CID 86592550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).