4-(4-oxopentyl)benzamide

C12H15NO2 — CID 18473782

IUPAC4-(4-oxopentyl)benzamide
SMILESCC(=O)CCCc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H15NO2/c1-9(14)3-2-4-10-5-7-11(8-6-10)12(13)15/h5-8H,2-4H2,1H3,(H2,13,15)
InChIKeyRMEUUWWRLSEBEX-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.70
Rot. Bonds5

About 4-(4-oxopentyl)benzamide

4-(4-oxopentyl)benzamide (PubChem CID 18473782) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-(4-oxopentyl)benzamide.

Molecular Properties

Compound Name4-(4-oxopentyl)benzamide
PubChem CID18473782
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-(4-oxopentyl)benzamide
SMILESCC(=O)CCCc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H15NO2/c1-9(14)3-2-4-10-5-7-11(8-6-10)12(13)15/h5-8H,2-4H2,1H3,(H2,13,15)
InChIKeyRMEUUWWRLSEBEX-UHFFFAOYSA-N
XLogP1.70
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Benzamide
CID 2331
Phthalamide
CID 6956
Benzohydroxamic acid
CID 10313
4-Fluorobenzamide
CID 71572
4-Methylbenzamide
CID 69274
1,4-Diacetylbenzene
CID 13888
2-Methylbenzamide
CID 10704
2-Fluorobenzamide
CID 67964
Terephthalamide
CID 76381
m-Toluamide
CID 69253
N-hydroxy-4-methylbenzamide
CID 426839
4-Iodobenzamide
CID 77561

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxopentyl)benzamide?
The IUPAC name of 4-(4-oxopentyl)benzamide (CID 18473782) is 4-(4-oxopentyl)benzamide.
What is the SMILES notation for 4-(4-oxopentyl)benzamide?
The canonical SMILES for 4-(4-oxopentyl)benzamide is CC(=O)CCCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-(4-oxopentyl)benzamide?
The InChIKey is RMEUUWWRLSEBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(14)3-2-4-10-5-7-11(8-6-10)12(13)15/h5-8H,2-4H2,1H3,(H2,13,15).
What are the key properties of 4-(4-oxopentyl)benzamide?
4-(4-oxopentyl)benzamide has a molecular weight of 205.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxopentyl)benzamide is sourced from PubChem (CID 18473782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).