benzamide

C7H7NO — CID 2331

IUPACbenzamide
SMILESNC(=O)c1ccccc1
InChIInChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
InChIKeyKXDAEFPNCMNJSK-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.79
Rot. Bonds1

About benzamide

benzamide (PubChem CID 2331) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is benzamide.

Molecular Properties

Compound Namebenzamide
PubChem CID2331
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Namebenzamide
SMILESNC(=O)c1ccccc1
InChIInChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)
InChIKeyKXDAEFPNCMNJSK-UHFFFAOYSA-N
XLogP0.79
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzeneacetamide
CID 7680
N-Methylbenzamide
CID 11954
Benzoylhydrazine
CID 11955
2-Chlorobenzamide
CID 69111
Phthalamide
CID 6956
Benzohydroxamic acid
CID 10313
2,6-Difluorobenzamide
CID 87439
2-Trifluoromethylbenzamide
CID 67759
4-Fluorobenzamide
CID 71572
4-Methylbenzamide
CID 69274
2-Methylbenzamide
CID 10704
Carboxycinnamic Acid Bishydroxamide
CID 5353484

Frequently Asked Questions

What is the IUPAC name of benzamide?
The IUPAC name of benzamide (CID 2331) is benzamide.
What is the SMILES notation for benzamide?
The canonical SMILES for benzamide is NC(=O)c1ccccc1.
What is the InChIKey of benzamide?
The InChIKey is KXDAEFPNCMNJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9).
What are the key properties of benzamide?
benzamide has a molecular weight of 121.14 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide is sourced from PubChem (CID 2331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).