N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide

C18H13N3O — CID 110295266

IUPACN-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H13N3O/c19-13-15-5-1-2-6-17(15)20-18(22)14-7-9-16(10-8-14)21-11-3-4-12-21/h1-12H,(H,20,22)
InChIKeyCSPDUSUFLFIMDW-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.60
Rot. Bonds3

About N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide

N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide (PubChem CID 110295266) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide
PubChem CID110295266
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC NameN-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H13N3O/c19-13-15-5-1-2-6-17(15)20-18(22)14-7-9-16(10-8-14)21-11-3-4-12-21/h1-12H,(H,20,22)
InChIKeyCSPDUSUFLFIMDW-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-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
2-[(4-pyrrol-1-ylbenzoyl)amino]benzoic acid
CID 45340861
N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 26643465
N-(2-cyanophenyl)-4-(trifluoromethyl)benzamide
CID 9115538
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
CID 109050250
N-(2-cyanophenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044383
N-[2-(propan-2-ylcarbamoylamino)phenyl]-4-pyrrol-1-ylbenzamide
CID 55964825
N-(2-cyanophenyl)-1,3-dimethyl-2-oxobenzimidazole-5-carboxamide
CID 110765482
3,4-dichloro-N-(2-cyanophenyl)benzamide
CID 798668
3-benzamido-N-(2-cyanophenyl)-4-methylbenzamide
CID 17226453
[3-[[2-[(4-pyrrol-1-ylbenzoyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 108928052
N-imidazo[1,2-a]pyridin-8-yl-4-pyrrol-1-ylbenzamide
CID 110745743

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide (CID 110295266) is N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide is N#Cc1ccccc1NC(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide?
The InChIKey is CSPDUSUFLFIMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c19-13-15-5-1-2-6-17(15)20-18(22)14-7-9-16(10-8-14)21-11-3-4-12-21/h1-12H,(H,20,22).
What are the key properties of N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide?
N-(2-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-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 110295266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).