4-ethyl-N-(3-ethynylphenyl)benzamide

C17H15NO — CID 18168132

IUPAC4-ethyl-N-(3-ethynylphenyl)benzamide
SMILESC#Cc1cccc(NC(=O)c2ccc(CC)cc2)c1
InChIInChI=1S/C17H15NO/c1-3-13-8-10-15(11-9-13)17(19)18-16-7-5-6-14(4-2)12-16/h2,5-12H,3H2,1H3,(H,18,19)
InChIKeyVUAVMRNFBMKNEZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.48
Rot. Bonds3

About 4-ethyl-N-(3-ethynylphenyl)benzamide

4-ethyl-N-(3-ethynylphenyl)benzamide (PubChem CID 18168132) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-ethyl-N-(3-ethynylphenyl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-(3-ethynylphenyl)benzamide
PubChem CID18168132
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name4-ethyl-N-(3-ethynylphenyl)benzamide
SMILESC#Cc1cccc(NC(=O)c2ccc(CC)cc2)c1
InChIInChI=1S/C17H15NO/c1-3-13-8-10-15(11-9-13)17(19)18-16-7-5-6-14(4-2)12-16/h2,5-12H,3H2,1H3,(H,18,19)
InChIKeyVUAVMRNFBMKNEZ-UHFFFAOYSA-N
XLogP3.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyanophenyl)-4-ethylbenzamide
CID 2552285
4-(diethylaminomethyl)-N-(3-ethynylphenyl)benzamide
CID 46426668
4-tert-butyl-N-(3-ethynylphenyl)benzamide
CID 60712469
1-N,3-N,5-N-tris(3-ethynylphenyl)benzene-1,3,5-tricarboxamide
CID 155264054
N-(3-benzamidophenyl)-4-ethylbenzamide
CID 17102471
4-(diethylsulfamoyl)-N-(3-ethynylphenyl)benzamide
CID 36666715
N-(3-ethynylphenyl)-4-propan-2-yloxybenzamide
CID 24676247
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
4-ethyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601942
1-N,3-N-bis(3-ethynylphenyl)-5-[(3-ethynylphenyl)carbamoylamino]benzene-1,3-dicarboxamide
CID 59499518
2-benzamido-N-(3-ethynylphenyl)benzamide
CID 43050120
4-tert-butyl-N-[2-(3-ethynylanilino)-2-oxoethyl]benzamide
CID 31063301

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-ethynylphenyl)benzamide?
The IUPAC name of 4-ethyl-N-(3-ethynylphenyl)benzamide (CID 18168132) is 4-ethyl-N-(3-ethynylphenyl)benzamide.
What is the SMILES notation for 4-ethyl-N-(3-ethynylphenyl)benzamide?
The canonical SMILES for 4-ethyl-N-(3-ethynylphenyl)benzamide is C#Cc1cccc(NC(=O)c2ccc(CC)cc2)c1.
What is the InChIKey of 4-ethyl-N-(3-ethynylphenyl)benzamide?
The InChIKey is VUAVMRNFBMKNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-3-13-8-10-15(11-9-13)17(19)18-16-7-5-6-14(4-2)12-16/h2,5-12H,3H2,1H3,(H,18,19).
What are the key properties of 4-ethyl-N-(3-ethynylphenyl)benzamide?
4-ethyl-N-(3-ethynylphenyl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-ethynylphenyl)benzamide is sourced from PubChem (CID 18168132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).