N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride

C7H11Cl3N2O — CID 131203582

IUPACN-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CNC1)C1CC1(Cl)Cl
InChIInChI=1S/C7H10Cl2N2O.ClH/c8-7(9)1-5(7)6(12)11-4-2-10-3-4;/h4-5,10H,1-3H2,(H,11,12);1H
InChIKeyZNZKTAWVNANAAH-UHFFFAOYSA-N
MW245.54 g/mol
LogP0.69
Rot. Bonds2

About N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride

N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride (PubChem CID 131203582) has the molecular formula C7H11Cl3N2O and a molecular weight of 245.54 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride
PubChem CID131203582
Molecular FormulaC7H11Cl3N2O
Molecular Weight245.54 g/mol
Exact Mass243.99
IUPAC NameN-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride
SMILESCl.O=C(NC1CNC1)C1CC1(Cl)Cl
InChIInChI=1S/C7H10Cl2N2O.ClH/c8-7(9)1-5(7)6(12)11-4-2-10-3-4;/h4-5,10H,1-3H2,(H,11,12);1H
InChIKeyZNZKTAWVNANAAH-UHFFFAOYSA-N
XLogP0.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.54
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 131203583
2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide
CID 78790788
2,2-dimethyl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
CID 119030831
N-cyclopentyl-5-azaspiro[2.3]hexane-2-carboxamide;hydrochloride
CID 131065840
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457
azetidin-3-ylurea
CID 66186769
2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide
CID 130905184
N-[(1-aminocyclobutyl)methyl]-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride
CID 130628525
N-(azetidin-3-yl)-2-methylsulfanylacetamide
CID 66185125
N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide
CID 164661940
N-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide
CID 84670904
(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide
CID 104856358

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride (CID 131203582) is N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride is Cl.O=C(NC1CNC1)C1CC1(Cl)Cl.
What is the InChIKey of N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride?
The InChIKey is ZNZKTAWVNANAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N2O.ClH/c8-7(9)1-5(7)6(12)11-4-2-10-3-4;/h4-5,10H,1-3H2,(H,11,12);1H.
What are the key properties of N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride?
N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride has a molecular weight of 245.54 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 131203582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).