N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide

C18H13N3O — CID 26643465

IUPACN-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C18H13N3O/c19-13-14-3-7-16(8-4-14)20-18(22)15-5-9-17(10-6-15)21-11-1-2-12-21/h1-12H,(H,20,22)
InChIKeyFMPGAPBJRVRURH-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.60
Rot. Bonds3

About N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide

N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide (PubChem CID 26643465) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide
PubChem CID26643465
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC NameN-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C18H13N3O/c19-13-14-3-7-16(8-4-14)20-18(22)15-5-9-17(10-6-15)21-11-1-2-12-21/h1-12H,(H,20,22)
InChIKeyFMPGAPBJRVRURH-UHFFFAOYSA-N
XLogP3.60
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-4-pyrrol-1-ylbenzamide
CID 39337548
4-fluoro-N-(4-pyrrol-1-ylphenyl)benzamide
CID 2768248
N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 134035332
4-N-(4-chlorophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049994
N-(4-cyanophenyl)-4-hydrazinylbenzamide
CID 55052706
N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 110295266
4-pyrrol-1-yl-N-(4-sulfamoylphenyl)benzamide
CID 26718752
4-cyano-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122307861
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309040
N-(4-cyanophenyl)furan-3-carboxamide
CID 24701301
4-cyano-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684239

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide (CID 26643465) is N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide is N#Cc1ccc(NC(=O)c2ccc(-n3cccc3)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide?
The InChIKey is FMPGAPBJRVRURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c19-13-14-3-7-16(8-4-14)20-18(22)15-5-9-17(10-6-15)21-11-1-2-12-21/h1-12H,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide?
N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide has a molecular weight of 287.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 26643465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).