3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide

C22H20N2O3 — CID 1306000

IUPAC3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O3/c1-27-20-9-5-8-17(15-20)22(26)24-19-12-10-18(11-13-19)23-21(25)14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyCKQNSYXNARXHEU-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.13
Rot. Bonds6

About 3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide

3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide (PubChem CID 1306000) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
PubChem CID1306000
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1
InChIInChI=1S/C22H20N2O3/c1-27-20-9-5-8-17(15-20)22(26)24-19-12-10-18(11-13-19)23-21(25)14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyCKQNSYXNARXHEU-UHFFFAOYSA-N
XLogP4.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide?
The IUPAC name of 3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide (CID 1306000) is 3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide?
The canonical SMILES for 3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide is COc1cccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1.
What is the InChIKey of 3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide?
The InChIKey is CKQNSYXNARXHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-27-20-9-5-8-17(15-20)22(26)24-19-12-10-18(11-13-19)23-21(25)14-16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide?
3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide has a molecular weight of 360.41 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 1306000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).