N-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide

C20H15ClN4O — CID 138555560

IUPACN-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cn(-c3ccccc3)c3ncnc(Cl)c23)c1
InChIInChI=1S/C20H15ClN4O/c1-13(26)24-15-7-5-6-14(10-15)17-11-25(16-8-3-2-4-9-16)20-18(17)19(21)22-12-23-20/h2-12H,1H3,(H,24,26)
InChIKeyJJLAUGRIIHWYIH-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.70
Rot. Bonds3

About N-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide

N-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide (PubChem CID 138555560) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is N-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide
PubChem CID138555560
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC NameN-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cn(-c3ccccc3)c3ncnc(Cl)c23)c1
InChIInChI=1S/C20H15ClN4O/c1-13(26)24-15-7-5-6-14(10-15)17-11-25(16-8-3-2-4-9-16)20-18(17)19(21)22-12-23-20/h2-12H,1H3,(H,24,26)
InChIKeyJJLAUGRIIHWYIH-UHFFFAOYSA-N
XLogP4.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide?
The IUPAC name of N-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide (CID 138555560) is N-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide is CC(=O)Nc1cccc(-c2cn(-c3ccccc3)c3ncnc(Cl)c23)c1.
What is the InChIKey of N-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide?
The InChIKey is JJLAUGRIIHWYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-13(26)24-15-7-5-6-14(10-15)17-11-25(16-8-3-2-4-9-16)20-18(17)19(21)22-12-23-20/h2-12H,1H3,(H,24,26).
What are the key properties of N-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide?
N-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide has a molecular weight of 362.82 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-7-phenylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide is sourced from PubChem (CID 138555560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).