N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide

C20H16N4O — CID 155289261

IUPACN-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2ncnc3[nH]ccc23)cc1)c1ccccc1
InChIInChI=1S/C20H16N4O/c25-20(16-4-2-1-3-5-16)22-12-14-6-8-15(9-7-14)18-17-10-11-21-19(17)24-13-23-18/h1-11,13H,12H2,(H,22,25)(H,21,23,24)
InChIKeyZUWTWEPWXCWEFD-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.55
Rot. Bonds4

About N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide

N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide (PubChem CID 155289261) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
PubChem CID155289261
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC NameN-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(-c2ncnc3[nH]ccc23)cc1)c1ccccc1
InChIInChI=1S/C20H16N4O/c25-20(16-4-2-1-3-5-16)22-12-14-6-8-15(9-7-14)18-17-10-11-21-19(17)24-13-23-18/h1-11,13H,12H2,(H,22,25)(H,21,23,24)
InChIKeyZUWTWEPWXCWEFD-UHFFFAOYSA-N
XLogP3.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide?
The IUPAC name of N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide (CID 155289261) is N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide.
What is the SMILES notation for N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide?
The canonical SMILES for N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide is O=C(NCc1ccc(-c2ncnc3[nH]ccc23)cc1)c1ccccc1.
What is the InChIKey of N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide?
The InChIKey is ZUWTWEPWXCWEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-20(16-4-2-1-3-5-16)22-12-14-6-8-15(9-7-14)18-17-10-11-21-19(17)24-13-23-18/h1-11,13H,12H2,(H,22,25)(H,21,23,24).
What are the key properties of N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide?
N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide has a molecular weight of 328.38 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 155289261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).