4-benzoyl-N-butan-2-ylbenzamide

C18H19NO2 — CID 4877194

IUPAC4-benzoyl-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-3-13(2)19-18(21)16-11-9-15(10-12-16)17(20)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,19,21)
InChIKeyOGRPCIBCHLANQK-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.45
Rot. Bonds5

About 4-benzoyl-N-butan-2-ylbenzamide

4-benzoyl-N-butan-2-ylbenzamide (PubChem CID 4877194) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-benzoyl-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name4-benzoyl-N-butan-2-ylbenzamide
PubChem CID4877194
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name4-benzoyl-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C18H19NO2/c1-3-13(2)19-18(21)16-11-9-15(10-12-16)17(20)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,19,21)
InChIKeyOGRPCIBCHLANQK-UHFFFAOYSA-N
XLogP3.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-butan-2-ylbenzamide?
The IUPAC name of 4-benzoyl-N-butan-2-ylbenzamide (CID 4877194) is 4-benzoyl-N-butan-2-ylbenzamide.
What is the SMILES notation for 4-benzoyl-N-butan-2-ylbenzamide?
The canonical SMILES for 4-benzoyl-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-N-butan-2-ylbenzamide?
The InChIKey is OGRPCIBCHLANQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-13(2)19-18(21)16-11-9-15(10-12-16)17(20)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3,(H,19,21).
What are the key properties of 4-benzoyl-N-butan-2-ylbenzamide?
4-benzoyl-N-butan-2-ylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-butan-2-ylbenzamide is sourced from PubChem (CID 4877194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).