benzamide;1,1-dichlorocyclopropane

C10H11Cl2NO — CID 175468007

IUPACbenzamide;1,1-dichlorocyclopropane
SMILESClC1(Cl)CC1.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C3H4Cl2/c8-7(9)6-4-2-1-3-5-6;4-3(5)1-2-3/h1-5H,(H2,8,9);1-2H2
InChIKeyCMVOUIYLFMXMIU-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.74
Rot. Bonds1

About benzamide;1,1-dichlorocyclopropane

benzamide;1,1-dichlorocyclopropane (PubChem CID 175468007) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is benzamide;1,1-dichlorocyclopropane.

Molecular Properties

Compound Namebenzamide;1,1-dichlorocyclopropane
PubChem CID175468007
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Namebenzamide;1,1-dichlorocyclopropane
SMILESClC1(Cl)CC1.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C3H4Cl2/c8-7(9)6-4-2-1-3-5-6;4-3(5)1-2-3/h1-5H,(H2,8,9);1-2H2
InChIKeyCMVOUIYLFMXMIU-UHFFFAOYSA-N
XLogP2.74
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzamide;1,1-dichlorocyclopropane?
The IUPAC name of benzamide;1,1-dichlorocyclopropane (CID 175468007) is benzamide;1,1-dichlorocyclopropane.
What is the SMILES notation for benzamide;1,1-dichlorocyclopropane?
The canonical SMILES for benzamide;1,1-dichlorocyclopropane is ClC1(Cl)CC1.NC(=O)c1ccccc1.
What is the InChIKey of benzamide;1,1-dichlorocyclopropane?
The InChIKey is CMVOUIYLFMXMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C3H4Cl2/c8-7(9)6-4-2-1-3-5-6;4-3(5)1-2-3/h1-5H,(H2,8,9);1-2H2.
What are the key properties of benzamide;1,1-dichlorocyclopropane?
benzamide;1,1-dichlorocyclopropane has a molecular weight of 232.11 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;1,1-dichlorocyclopropane is sourced from PubChem (CID 175468007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).