N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide

C19H15N3O — CID 134035332

IUPACN-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide
SMILESN#Cc1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C19H15N3O/c20-13-15-3-5-16(6-4-15)14-21-19(23)17-7-9-18(10-8-17)22-11-1-2-12-22/h1-12H,14H2,(H,21,23)
InChIKeyVTWRAVJSHKMDCO-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.28
Rot. Bonds4

About N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide

N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide (PubChem CID 134035332) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide
PubChem CID134035332
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC NameN-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide
SMILESN#Cc1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C19H15N3O/c20-13-15-3-5-16(6-4-15)14-21-19(23)17-7-9-18(10-8-17)22-11-1-2-12-22/h1-12H,14H2,(H,21,23)
InChIKeyVTWRAVJSHKMDCO-UHFFFAOYSA-N
XLogP3.28
TPSA57.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate
CID 4919619
N-(4-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 26643465
N-[[4-(methoxymethyl)phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 46448239
4-(2-cyanoacetyl)-N-[(4-cyanophenyl)methyl]benzamide
CID 170943860
N-[(4-cyanophenyl)methyl]-4-hydrazinylbenzamide
CID 62269661
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
4-pyrrol-1-yl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]benzamide
CID 108933756
4-cyano-N-[(1-methylpyrrol-3-yl)methyl]benzamide
CID 103722004
4-pyrrol-1-yl-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 55493467
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-pyrrol-1-ylbenzamide
CID 108924009
3-fluoro-N-[(4-pyrrol-1-ylphenyl)methyl]benzamide
CID 4919610

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide (CID 134035332) is N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide is N#Cc1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide?
The InChIKey is VTWRAVJSHKMDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c20-13-15-3-5-16(6-4-15)14-21-19(23)17-7-9-18(10-8-17)22-11-1-2-12-22/h1-12H,14H2,(H,21,23).
What are the key properties of N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide?
N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide has a molecular weight of 301.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 134035332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).