N-(2-benzamido-1H-pyrrol-3-yl)benzamide

C18H15N3O2 — CID 68860160

IUPACN-(2-benzamido-1H-pyrrol-3-yl)benzamide
SMILESO=C(Nc1cc[nH]c1NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N3O2/c22-17(13-7-3-1-4-8-13)20-15-11-12-19-16(15)21-18(23)14-9-5-2-6-10-14/h1-12,19H,(H,20,22)(H,21,23)
InChIKeyPDMOFPUYVBBZPO-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.52
Rot. Bonds4

About N-(2-benzamido-1H-pyrrol-3-yl)benzamide

N-(2-benzamido-1H-pyrrol-3-yl)benzamide (PubChem CID 68860160) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(2-benzamido-1H-pyrrol-3-yl)benzamide.

Molecular Properties

Compound NameN-(2-benzamido-1H-pyrrol-3-yl)benzamide
PubChem CID68860160
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(2-benzamido-1H-pyrrol-3-yl)benzamide
SMILESO=C(Nc1cc[nH]c1NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N3O2/c22-17(13-7-3-1-4-8-13)20-15-11-12-19-16(15)21-18(23)14-9-5-2-6-10-14/h1-12,19H,(H,20,22)(H,21,23)
InChIKeyPDMOFPUYVBBZPO-UHFFFAOYSA-N
XLogP3.52
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzamido-1H-pyrrol-3-yl)benzamide?
The IUPAC name of N-(2-benzamido-1H-pyrrol-3-yl)benzamide (CID 68860160) is N-(2-benzamido-1H-pyrrol-3-yl)benzamide.
What is the SMILES notation for N-(2-benzamido-1H-pyrrol-3-yl)benzamide?
The canonical SMILES for N-(2-benzamido-1H-pyrrol-3-yl)benzamide is O=C(Nc1cc[nH]c1NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2-benzamido-1H-pyrrol-3-yl)benzamide?
The InChIKey is PDMOFPUYVBBZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-17(13-7-3-1-4-8-13)20-15-11-12-19-16(15)21-18(23)14-9-5-2-6-10-14/h1-12,19H,(H,20,22)(H,21,23).
What are the key properties of N-(2-benzamido-1H-pyrrol-3-yl)benzamide?
N-(2-benzamido-1H-pyrrol-3-yl)benzamide has a molecular weight of 305.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamido-1H-pyrrol-3-yl)benzamide is sourced from PubChem (CID 68860160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).