N-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide

C20H18N2O — CID 46901613

IUPACN-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cc3ccncc3)cc2)c1
InChIInChI=1S/C20H18N2O/c1-15(23)22-20-4-2-3-19(14-20)18-7-5-16(6-8-18)13-17-9-11-21-12-10-17/h2-12,14H,13H2,1H3,(H,22,23)
InChIKeyHURKLDLRCGKBKL-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.30
Rot. Bonds4

About N-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide

N-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide (PubChem CID 46901613) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide
PubChem CID46901613
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC NameN-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2ccc(Cc3ccncc3)cc2)c1
InChIInChI=1S/C20H18N2O/c1-15(23)22-20-4-2-3-19(14-20)18-7-5-16(6-8-18)13-17-9-11-21-12-10-17/h2-12,14H,13H2,1H3,(H,22,23)
InChIKeyHURKLDLRCGKBKL-UHFFFAOYSA-N
XLogP4.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide (CID 46901613) is N-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide is CC(=O)Nc1cccc(-c2ccc(Cc3ccncc3)cc2)c1.
What is the InChIKey of N-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide?
The InChIKey is HURKLDLRCGKBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c1-15(23)22-20-4-2-3-19(14-20)18-7-5-16(6-8-18)13-17-9-11-21-12-10-17/h2-12,14H,13H2,1H3,(H,22,23).
What are the key properties of N-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide?
N-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(pyridin-4-ylmethyl)phenyl]phenyl]acetamide is sourced from PubChem (CID 46901613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).