N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide

C23H22N2O3 — CID 17235341

IUPACN-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C23H22N2O3/c1-16-12-17(2)14-21(13-16)28-15-22(26)24-19-8-10-20(11-9-19)25-23(27)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQPYFYNNVKYCTRW-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.57
Rot. Bonds6

About N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide

N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 17235341) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
PubChem CID17235341
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1
InChIInChI=1S/C23H22N2O3/c1-16-12-17(2)14-21(13-16)28-15-22(26)24-19-8-10-20(11-9-19)25-23(27)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyQPYFYNNVKYCTRW-UHFFFAOYSA-N
XLogP4.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1316241
N-[4-[N-[[2-(3,5-dimethylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 1376060
2-(3-hydroxy-5-methylphenoxy)-N-phenylacetamide
CID 107679862
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
CID 2554425
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
methyl 2-[[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 9049177
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
3-[[2-(3,5-dimethylphenoxy)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26167723
5-[[2-(3,5-dimethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 17359281

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide (CID 17235341) is N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide is Cc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1.
What is the InChIKey of N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is QPYFYNNVKYCTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-12-17(2)14-21(13-16)28-15-22(26)24-19-8-10-20(11-9-19)25-23(27)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 17235341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).