N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide

C18H13N3O — CID 27826709

IUPACN-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide
SMILESN#Cc1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1
InChIInChI=1S/C18H13N3O/c19-13-14-5-3-7-16(11-14)20-18(22)15-6-4-8-17(12-15)21-9-1-2-10-21/h1-12H,(H,20,22)
InChIKeyVARGRMUFYDLKAS-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.60
Rot. Bonds3

About N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide

N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide (PubChem CID 27826709) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide
PubChem CID27826709
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC NameN-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide
SMILESN#Cc1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1
InChIInChI=1S/C18H13N3O/c19-13-14-5-3-7-16(11-14)20-18(22)15-6-4-8-17(12-15)21-9-1-2-10-21/h1-12H,(H,20,22)
InChIKeyVARGRMUFYDLKAS-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-(3-cyanophenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 18084163
N-(3-cyanophenyl)-3-piperazin-1-ylbenzamide
CID 28749044
N-(3-fluorophenyl)-3-pyrrol-1-ylbenzamide
CID 16610347
3-cyano-N-(3-piperidin-1-ylphenyl)benzamide
CID 110362112
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
N-(3-cyanophenyl)-3-methoxybenzamide
CID 2707607
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
1-N-(3-cyanophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057633
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
3-N-(3-cyanophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109057385
methyl 4-[[3-[(3-cyanophenyl)carbamoyl]benzoyl]amino]benzoate
CID 109057740
N-(3-cyanophenyl)-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 24624352

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide (CID 27826709) is N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide is N#Cc1cccc(NC(=O)c2cccc(-n3cccc3)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide?
The InChIKey is VARGRMUFYDLKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c19-13-14-5-3-7-16(11-14)20-18(22)15-6-4-8-17(12-15)21-9-1-2-10-21/h1-12H,(H,20,22).
What are the key properties of N-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide?
N-(3-cyanophenyl)-3-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-(3-cyanophenyl)-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 27826709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).