benzamide;phenyl 4-ethyl-2-phenylbenzoate

C28H25NO3 — CID 175059284

IUPACbenzamide;phenyl 4-ethyl-2-phenylbenzoate
SMILESCCc1ccc(C(=O)Oc2ccccc2)c(-c2ccccc2)c1.NC(=O)c1ccccc1
InChIInChI=1S/C21H18O2.C7H7NO/c1-2-16-13-14-19(20(15-16)17-9-5-3-6-10-17)21(22)23-18-11-7-4-8-12-18;8-7(9)6-4-2-1-3-5-6/h3-15H,2H2,1H3;1-5H,(H2,8,9)
InChIKeyQDRRDFRLXQDAAA-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.92
Rot. Bonds5

About benzamide;phenyl 4-ethyl-2-phenylbenzoate

benzamide;phenyl 4-ethyl-2-phenylbenzoate (PubChem CID 175059284) has the molecular formula C28H25NO3 and a molecular weight of 423.51 g/mol. Its IUPAC name is benzamide;phenyl 4-ethyl-2-phenylbenzoate.

Molecular Properties

Compound Namebenzamide;phenyl 4-ethyl-2-phenylbenzoate
PubChem CID175059284
Molecular FormulaC28H25NO3
Molecular Weight423.51 g/mol
Exact Mass423.18
IUPAC Namebenzamide;phenyl 4-ethyl-2-phenylbenzoate
SMILESCCc1ccc(C(=O)Oc2ccccc2)c(-c2ccccc2)c1.NC(=O)c1ccccc1
InChIInChI=1S/C21H18O2.C7H7NO/c1-2-16-13-14-19(20(15-16)17-9-5-3-6-10-17)21(22)23-18-11-7-4-8-12-18;8-7(9)6-4-2-1-3-5-6/h3-15H,2H2,1H3;1-5H,(H2,8,9)
InChIKeyQDRRDFRLXQDAAA-UHFFFAOYSA-N
XLogP5.92
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

diphenyl 2-phenylbenzene-1,4-dicarboxylate
CID 67591432
phenyl 2,3-dimethyl-4-phenylbenzoate
CID 118554965
4-(4-nonylphenoxy)carbonyl-3-(4-nonylphenyl)benzoic acid
CID 135326379
4-(3-ethylphenyl)benzamide
CID 54454087
benzamide;(4-tert-butyl-2-phenylphenyl) benzoate
CID 146420990
ethynyl 4-(chloromethyl)-2-phenylbenzoate
CID 175463857
(4-ethylphenyl) (4-phenylphenyl) carbonate
CID 118690250
4-(4-ethylphenyl)benzamide
CID 53425878
phenyl N-[(4-carbamoylphenyl)methyl]-N-methylcarbamate
CID 60734083
benzamide;1,4-diethoxybenzene
CID 162120306
(2-acetyl-4-ethylphenyl) benzoate
CID 11832389
bis(2-chlorophenyl) 2-phenylbenzene-1,4-dicarboxylate
CID 70542824

Frequently Asked Questions

What is the IUPAC name of benzamide;phenyl 4-ethyl-2-phenylbenzoate?
The IUPAC name of benzamide;phenyl 4-ethyl-2-phenylbenzoate (CID 175059284) is benzamide;phenyl 4-ethyl-2-phenylbenzoate.
What is the SMILES notation for benzamide;phenyl 4-ethyl-2-phenylbenzoate?
The canonical SMILES for benzamide;phenyl 4-ethyl-2-phenylbenzoate is CCc1ccc(C(=O)Oc2ccccc2)c(-c2ccccc2)c1.NC(=O)c1ccccc1.
What is the InChIKey of benzamide;phenyl 4-ethyl-2-phenylbenzoate?
The InChIKey is QDRRDFRLXQDAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2.C7H7NO/c1-2-16-13-14-19(20(15-16)17-9-5-3-6-10-17)21(22)23-18-11-7-4-8-12-18;8-7(9)6-4-2-1-3-5-6/h3-15H,2H2,1H3;1-5H,(H2,8,9).
What are the key properties of benzamide;phenyl 4-ethyl-2-phenylbenzoate?
benzamide;phenyl 4-ethyl-2-phenylbenzoate has a molecular weight of 423.51 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;phenyl 4-ethyl-2-phenylbenzoate is sourced from PubChem (CID 175059284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).