2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide

C22H19NO3 — CID 1218686

IUPAC2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide
SMILESCc1ccc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c1-16-11-13-17(14-12-16)20(24)15-26-21-10-6-5-9-19(21)22(25)23-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyNNANDQTUQDGXHX-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.51
Rot. Bonds6

About 2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide

2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 1218686) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide
PubChem CID1218686
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide
SMILESCc1ccc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H19NO3/c1-16-11-13-17(14-12-16)20(24)15-26-21-10-6-5-9-19(21)22(25)23-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,25)
InChIKeyNNANDQTUQDGXHX-UHFFFAOYSA-N
XLogP4.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 78443
CID 78443
CID 465669
CID 465669
CID 684458
CID 684458
CID 46943210
CID 46943210
CID 203878
CID 203878
CID 44258
CID 44258
CID 65585
CID 65585
CID 94777
CID 94777
CID 248372
CID 248372
CID 46785920
CID 46785920
CID 700573
CID 700573
CID 9924962
CID 9924962

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide (CID 1218686) is 2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide is Cc1ccc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is NNANDQTUQDGXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-16-11-13-17(14-12-16)20(24)15-26-21-10-6-5-9-19(21)22(25)23-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,23,25).
What are the key properties of 2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide?
2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 345.40 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 1218686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).