acetyl chloride;benzamide

C9H10ClNO2 — CID 160666659

IUPACacetyl chloride;benzamide
SMILESCC(=O)Cl.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C2H3ClO/c8-7(9)6-4-2-1-3-5-6;1-2(3)4/h1-5H,(H2,8,9);1H3
InChIKeyRMJUHGYIVAJFIC-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.56
Rot. Bonds1

About acetyl chloride;benzamide

acetyl chloride;benzamide (PubChem CID 160666659) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is acetyl chloride;benzamide.

Molecular Properties

Compound Nameacetyl chloride;benzamide
PubChem CID160666659
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Nameacetyl chloride;benzamide
SMILESCC(=O)Cl.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C2H3ClO/c8-7(9)6-4-2-1-3-5-6;1-2(3)4/h1-5H,(H2,8,9);1H3
InChIKeyRMJUHGYIVAJFIC-UHFFFAOYSA-N
XLogP1.56
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzamide;hydron
CID 68819060
CID 67738089
CID 67738089
benzamide;dimethyltin
CID 174591280
benzamide;ethene
CID 143479548
benzamide;2,3-dimethylbutane
CID 162214835
benzamide;2,2,2-trichloroacetic acid
CID 70538723
benzamide;ethyl carbonochloridate;hydrochloride
CID 174390729
dipotassium;benzamide;carbonate
CID 159256468
benzamide;trifluoroborane
CID 158302663
benzamide;1,1-dichlorocyclopropane
CID 175468007
benzamide;cyclopropanecarbonyl chloride
CID 174284217
benzamide;pyrazine
CID 67119172

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;benzamide?
The IUPAC name of acetyl chloride;benzamide (CID 160666659) is acetyl chloride;benzamide.
What is the SMILES notation for acetyl chloride;benzamide?
The canonical SMILES for acetyl chloride;benzamide is CC(=O)Cl.NC(=O)c1ccccc1.
What is the InChIKey of acetyl chloride;benzamide?
The InChIKey is RMJUHGYIVAJFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C2H3ClO/c8-7(9)6-4-2-1-3-5-6;1-2(3)4/h1-5H,(H2,8,9);1H3.
What are the key properties of acetyl chloride;benzamide?
acetyl chloride;benzamide has a molecular weight of 199.64 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl chloride;benzamide is sourced from PubChem (CID 160666659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).