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

C22H20N2O3 — CID 1295708

IUPACN-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)ccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C22H20N2O3/c1-27-20-15-18(23-22(26)17-10-6-3-7-11-17)12-13-19(20)24-21(25)14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyPKVHRODZUVAZSF-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.13
Rot. Bonds6

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

N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]benzamide (PubChem CID 1295708) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]benzamide
PubChem CID1295708
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]benzamide
SMILESCOc1cc(NC(=O)c2ccccc2)ccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C22H20N2O3/c1-27-20-15-18(23-22(26)17-10-6-3-7-11-17)12-13-19(20)24-21(25)14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyPKVHRODZUVAZSF-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 N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]benzamide?
The IUPAC name of N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]benzamide (CID 1295708) is N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]benzamide.
What is the SMILES notation for N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]benzamide?
The canonical SMILES for N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]benzamide is COc1cc(NC(=O)c2ccccc2)ccc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]benzamide?
The InChIKey is PKVHRODZUVAZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-27-20-15-18(23-22(26)17-10-6-3-7-11-17)12-13-19(20)24-21(25)14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]benzamide?
N-[3-methoxy-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 N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]benzamide is sourced from PubChem (CID 1295708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).