4-ethylbenzamide

C9H11NO — CID 7020622

IUPAC4-ethylbenzamide
SMILESCCc1ccc(C(N)=O)cc1
InChIInChI=1S/C9H11NO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
InChIKeyYKFAFWKDOSYQIP-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.35
Rot. Bonds2

About 4-ethylbenzamide

4-ethylbenzamide (PubChem CID 7020622) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 4-ethylbenzamide.

Molecular Properties

Compound Name4-ethylbenzamide
PubChem CID7020622
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name4-ethylbenzamide
SMILESCCc1ccc(C(N)=O)cc1
InChIInChI=1S/C9H11NO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
InChIKeyYKFAFWKDOSYQIP-UHFFFAOYSA-N
XLogP1.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzamide
CID 2331
Benzeneacetamide
CID 7680
N-Methylbenzamide
CID 11954
Benzoylhydrazine
CID 11955
Phthalamide
CID 6956
Benzohydroxamic acid
CID 10313
2,6-Difluorobenzamide
CID 87439
2-Trifluoromethylbenzamide
CID 67759
4-Fluorobenzamide
CID 71572
2-Phenylbutanamide
CID 7011
4-Methylbenzamide
CID 69274
2-Methylbenzamide
CID 10704

Frequently Asked Questions

What is the IUPAC name of 4-ethylbenzamide?
The IUPAC name of 4-ethylbenzamide (CID 7020622) is 4-ethylbenzamide.
What is the SMILES notation for 4-ethylbenzamide?
The canonical SMILES for 4-ethylbenzamide is CCc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-ethylbenzamide?
The InChIKey is YKFAFWKDOSYQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H2,10,11).
What are the key properties of 4-ethylbenzamide?
4-ethylbenzamide has a molecular weight of 149.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylbenzamide is sourced from PubChem (CID 7020622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).