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

C23H22N2O3 — CID 1334409

IUPACN-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1C
InChIInChI=1S/C23H22N2O3/c1-16-8-6-13-21(17(16)2)28-15-22(26)24-19-11-7-12-20(14-19)25-23(27)18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyJIINVQONXKMLTL-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.57
Rot. Bonds6

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

N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide (PubChem CID 1334409) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide
PubChem CID1334409
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide
SMILESCc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1C
InChIInChI=1S/C23H22N2O3/c1-16-8-6-13-21(17(16)2)28-15-22(26)24-19-11-7-12-20(14-19)25-23(27)18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyJIINVQONXKMLTL-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

3-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 720618
2-(2,3-dimethylphenoxy)-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18164294
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 26164549
3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 31288850
N-[3-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 1316241
4-[[2-(2,3-dimethylphenoxy)acetyl]amino]benzoic acid
CID 19172685
2-[[3-[[2-(2-methylphenoxy)acetyl]amino]phenyl]carbamoyl]benzoic acid
CID 3306874
N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 18870161
4-tert-butyl-N-[3-[[2-(2,3,5-trimethylphenoxy)acetyl]amino]phenyl]benzamide
CID 46763392
2-(2,3-dimethylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17097883
N-[3-[[2-(2,4-ditert-butylphenoxy)acetyl]amino]phenyl]benzamide
CID 17234915
N-(3-amino-4-methylphenyl)-2-(2,3-dimethylphenoxy)acetamide
CID 28867346

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide (CID 1334409) is N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide is Cc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)c1C.
What is the InChIKey of N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
The InChIKey is JIINVQONXKMLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-16-8-6-13-21(17(16)2)28-15-22(26)24-19-11-7-12-20(14-19)25-23(27)18-9-4-3-5-10-18/h3-14H,15H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide?
N-[3-[[2-(2,3-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-[3-[[2-(2,3-dimethylphenoxy)acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 1334409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).