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

C7H10Cl2N2O — CID 131203583

IUPACN-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide
SMILESO=C(NC1CNC1)C1CC1(Cl)Cl
InChIInChI=1S/C7H10Cl2N2O/c8-7(9)1-5(7)6(12)11-4-2-10-3-4/h4-5,10H,1-3H2,(H,11,12)
InChIKeyCXCBGOOAVJQQAH-UHFFFAOYSA-N
MW209.08 g/mol
LogP0.27
Rot. Bonds2

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

N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide (PubChem CID 131203583) has the molecular formula C7H10Cl2N2O and a molecular weight of 209.08 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide
PubChem CID131203583
Molecular FormulaC7H10Cl2N2O
Molecular Weight209.08 g/mol
Exact Mass208.02
IUPAC NameN-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide
SMILESO=C(NC1CNC1)C1CC1(Cl)Cl
InChIInChI=1S/C7H10Cl2N2O/c8-7(9)1-5(7)6(12)11-4-2-10-3-4/h4-5,10H,1-3H2,(H,11,12)
InChIKeyCXCBGOOAVJQQAH-UHFFFAOYSA-N
XLogP0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 50.27
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;hydrochloride
CID 131203582
2,2-dichloro-N-cyclopentylcyclopropane-1-carboxamide
CID 78790788
2,2-dimethyl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
CID 119030831
N-(1-benzylpiperidin-4-yl)-2,2-dichlorocyclopropane-1-carboxamide
CID 24654457
azetidin-3-ylurea
CID 66186769
N-cyclopentyl-5-azaspiro[2.3]hexane-2-carboxamide;hydrochloride
CID 131065840
2,2-dichloro-N-pyrrol-1-ylcyclopropane-1-carboxamide
CID 130905184
N-(azetidin-3-yl)-2-methylsulfanylacetamide
CID 66185125
N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide
CID 164661940
(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide
CID 104856358
N-(azetidin-3-yl)-2-cyclopropylsulfinylacetamide
CID 84670904
2,2-dimethyl-N-(5-methylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 107585034

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide (CID 131203583) is N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide is O=C(NC1CNC1)C1CC1(Cl)Cl.
What is the InChIKey of N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide?
The InChIKey is CXCBGOOAVJQQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N2O/c8-7(9)1-5(7)6(12)11-4-2-10-3-4/h4-5,10H,1-3H2,(H,11,12).
What are the key properties of N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide?
N-(azetidin-3-yl)-2,2-dichlorocyclopropane-1-carboxamide has a molecular weight of 209.08 g/mol, XLogP of 0.27, 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 is sourced from PubChem (CID 131203583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).