N-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide

C23H22N2O2 — CID 139606567

IUPACN-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(Cc2ccccc2-c2ccccc2)cc(NC(C)=O)c1
InChIInChI=1S/C23H22N2O2/c1-16(26)24-21-13-18(14-22(15-21)25-17(2)27)12-20-10-6-7-11-23(20)19-8-4-3-5-9-19/h3-11,13-15H,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLWCGBWJDMVQIPS-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.86
Rot. Bonds5

About N-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide

N-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide (PubChem CID 139606567) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide
PubChem CID139606567
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide
SMILESCC(=O)Nc1cc(Cc2ccccc2-c2ccccc2)cc(NC(C)=O)c1
InChIInChI=1S/C23H22N2O2/c1-16(26)24-21-13-18(14-22(15-21)25-17(2)27)12-20-10-6-7-11-23(20)19-8-4-3-5-9-19/h3-11,13-15H,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLWCGBWJDMVQIPS-UHFFFAOYSA-N
XLogP4.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide?
The IUPAC name of N-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide (CID 139606567) is N-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide?
The canonical SMILES for N-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide is CC(=O)Nc1cc(Cc2ccccc2-c2ccccc2)cc(NC(C)=O)c1.
What is the InChIKey of N-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide?
The InChIKey is LWCGBWJDMVQIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-16(26)24-21-13-18(14-22(15-21)25-17(2)27)12-20-10-6-7-11-23(20)19-8-4-3-5-9-19/h3-11,13-15H,12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide?
N-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide has a molecular weight of 358.44 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-acetamido-5-[(2-phenylphenyl)methyl]phenyl]acetamide is sourced from PubChem (CID 139606567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).