N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide

C28H22N2O2 — CID 7670995

IUPACN-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C28H22N2O2/c29-19-21-11-13-22(14-12-21)23-15-17-26(18-16-23)32-20-27(31)30-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-18,28H,20H2,(H,30,31)
InChIKeySJEIYGFHGBVONI-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.51
Rot. Bonds7

About N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide

N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide (PubChem CID 7670995) has the molecular formula C28H22N2O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide
PubChem CID7670995
Molecular FormulaC28H22N2O2
Molecular Weight418.50 g/mol
Exact Mass418.17
IUPAC NameN-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide
SMILESN#Cc1ccc(-c2ccc(OCC(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C28H22N2O2/c29-19-21-11-13-22(14-12-21)23-15-17-26(18-16-23)32-20-27(31)30-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-18,28H,20H2,(H,30,31)
InChIKeySJEIYGFHGBVONI-UHFFFAOYSA-N
XLogP5.51
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyanophenoxy)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 9012921
2-(4-cyanophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 2711808
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3-cyanophenoxy)acetamide
CID 8852910
2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 99950620
2-(4-cyanophenoxy)-N-(2-phenylpropyl)acetamide
CID 16540648
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 132762003
(2R)-2-[[2-(4-cyanophenoxy)acetyl]amino]propanoic acid
CID 54990947
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7671146
N-(4-cyanophenyl)-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 7966728
2-(4-cyanophenoxy)-N-(4-phenylbutan-2-yl)acetamide
CID 3593728
N-[1-(4-cyanophenyl)ethyl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 55582792
2-(4-cyanophenoxy)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 55737345

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The IUPAC name of N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide (CID 7670995) is N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide.
What is the SMILES notation for N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The canonical SMILES for N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide is N#Cc1ccc(-c2ccc(OCC(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide?
The InChIKey is SJEIYGFHGBVONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O2/c29-19-21-11-13-22(14-12-21)23-15-17-26(18-16-23)32-20-27(31)30-28(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-18,28H,20H2,(H,30,31).
What are the key properties of N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide?
N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide has a molecular weight of 418.50 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[4-(4-cyanophenyl)phenoxy]acetamide is sourced from PubChem (CID 7670995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).