benzamide;cyclopropanecarbonyl chloride

C11H12ClNO2 — CID 174284217

IUPACbenzamide;cyclopropanecarbonyl chloride
SMILESNC(=O)c1ccccc1.O=C(Cl)C1CC1
InChIInChI=1S/C7H7NO.C4H5ClO/c8-7(9)6-4-2-1-3-5-6;5-4(6)3-1-2-3/h1-5H,(H2,8,9);3H,1-2H2
InChIKeyFXYGGJWOGPJAEM-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.95
Rot. Bonds2

About benzamide;cyclopropanecarbonyl chloride

benzamide;cyclopropanecarbonyl chloride (PubChem CID 174284217) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is benzamide;cyclopropanecarbonyl chloride.

Molecular Properties

Compound Namebenzamide;cyclopropanecarbonyl chloride
PubChem CID174284217
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Namebenzamide;cyclopropanecarbonyl chloride
SMILESNC(=O)c1ccccc1.O=C(Cl)C1CC1
InChIInChI=1S/C7H7NO.C4H5ClO/c8-7(9)6-4-2-1-3-5-6;5-4(6)3-1-2-3/h1-5H,(H2,8,9);3H,1-2H2
InChIKeyFXYGGJWOGPJAEM-UHFFFAOYSA-N
XLogP1.95
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzamide;cyclopropanecarbonyl chloride?
The IUPAC name of benzamide;cyclopropanecarbonyl chloride (CID 174284217) is benzamide;cyclopropanecarbonyl chloride.
What is the SMILES notation for benzamide;cyclopropanecarbonyl chloride?
The canonical SMILES for benzamide;cyclopropanecarbonyl chloride is NC(=O)c1ccccc1.O=C(Cl)C1CC1.
What is the InChIKey of benzamide;cyclopropanecarbonyl chloride?
The InChIKey is FXYGGJWOGPJAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C4H5ClO/c8-7(9)6-4-2-1-3-5-6;5-4(6)3-1-2-3/h1-5H,(H2,8,9);3H,1-2H2.
What are the key properties of benzamide;cyclopropanecarbonyl chloride?
benzamide;cyclopropanecarbonyl chloride has a molecular weight of 225.68 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;cyclopropanecarbonyl chloride is sourced from PubChem (CID 174284217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).