N-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide

C18H16N4O — CID 69023801

IUPACN-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H16N4O/c1-13(23)20-16-9-7-14(8-10-16)17-11-12-19-18(22-17)21-15-5-3-2-4-6-15/h2-12H,1H3,(H,20,23)(H,19,21,22)
InChIKeyAOJLLAFITFFUGQ-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.85
Rot. Bonds4

About N-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide

N-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide (PubChem CID 69023801) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide
PubChem CID69023801
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C18H16N4O/c1-13(23)20-16-9-7-14(8-10-16)17-11-12-19-18(22-17)21-15-5-3-2-4-6-15/h2-12H,1H3,(H,20,23)(H,19,21,22)
InChIKeyAOJLLAFITFFUGQ-UHFFFAOYSA-N
XLogP3.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide?
The IUPAC name of N-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide (CID 69023801) is N-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc(Nc3ccccc3)n2)cc1.
What is the InChIKey of N-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide?
The InChIKey is AOJLLAFITFFUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13(23)20-16-9-7-14(8-10-16)17-11-12-19-18(22-17)21-15-5-3-2-4-6-15/h2-12H,1H3,(H,20,23)(H,19,21,22).
What are the key properties of N-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide?
N-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide has a molecular weight of 304.35 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilinopyrimidin-4-yl)phenyl]acetamide is sourced from PubChem (CID 69023801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).