N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide

C19H17N3O2 — CID 159322428

IUPACN-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide
SMILESCC(=O)Nc1cccc(-c2ccc(NC(=O)c3ccccc3)[nH]2)c1
InChIInChI=1S/C19H17N3O2/c1-13(23)20-16-9-5-8-15(12-16)17-10-11-18(21-17)22-19(24)14-6-3-2-4-7-14/h2-12,21H,1H3,(H,20,23)(H,22,24)
InChIKeyLDXYQEDWWOBGLQ-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.89
Rot. Bonds4

About N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide

N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide (PubChem CID 159322428) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide
PubChem CID159322428
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide
SMILESCC(=O)Nc1cccc(-c2ccc(NC(=O)c3ccccc3)[nH]2)c1
InChIInChI=1S/C19H17N3O2/c1-13(23)20-16-9-5-8-15(12-16)17-10-11-18(21-17)22-19(24)14-6-3-2-4-7-14/h2-12,21H,1H3,(H,20,23)(H,22,24)
InChIKeyLDXYQEDWWOBGLQ-UHFFFAOYSA-N
XLogP3.89
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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3-acetamido-N-(4-phenoxyphenyl)benzamide
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N-(3-acetamidophenyl)-3-chlorobenzamide
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3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide?
The IUPAC name of N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide (CID 159322428) is N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide.
What is the SMILES notation for N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide?
The canonical SMILES for N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide is CC(=O)Nc1cccc(-c2ccc(NC(=O)c3ccccc3)[nH]2)c1.
What is the InChIKey of N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide?
The InChIKey is LDXYQEDWWOBGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-13(23)20-16-9-5-8-15(12-16)17-10-11-18(21-17)22-19(24)14-6-3-2-4-7-14/h2-12,21H,1H3,(H,20,23)(H,22,24).
What are the key properties of N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide?
N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide has a molecular weight of 319.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-acetamidophenyl)-1H-pyrrol-2-yl]benzamide is sourced from PubChem (CID 159322428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).