2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide

C14H13N3O — CID 175911856

IUPAC2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide
SMILESCN(C)C(=O)c1ccc(-n2cccc2)cc1C#N
InChIInChI=1S/C14H13N3O/c1-16(2)14(18)13-6-5-12(9-11(13)10-15)17-7-3-4-8-17/h3-9H,1-2H3
InChIKeyZXFTZUYYVZPVAE-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.05
Rot. Bonds2

About 2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide

2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide (PubChem CID 175911856) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound Name2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide
PubChem CID175911856
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide
SMILESCN(C)C(=O)c1ccc(-n2cccc2)cc1C#N
InChIInChI=1S/C14H13N3O/c1-16(2)14(18)13-6-5-12(9-11(13)10-15)17-7-3-4-8-17/h3-9H,1-2H3
InChIKeyZXFTZUYYVZPVAE-UHFFFAOYSA-N
XLogP2.05
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-pyrrol-1-ylbenzamide
CID 60682223
2-(diethylamino)-5-pyrrol-1-ylbenzonitrile
CID 91677349
1-(4-amino-3-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 115499714
4-cyano-N-methoxy-N-methyl-3-pyrrol-1-ylbenzamide
CID 86187318
2-cyano-4-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 168518996
N-(2-cyanophenyl)-4-pyrrol-1-ylbenzamide
CID 110295266
2-chloro-4-[4-[1-(2-cyanophenyl)sulfonylpiperidin-4-yl]piperidin-1-yl]-N,N-dimethylbenzamide
CID 129145910
(2-chloro-4-pyrrol-1-ylphenyl)-phenylmethanone
CID 175257797
N,N-diethyl-4-pyrrol-1-ylbenzamide
CID 60682055
4-(3-cyano-4-phenylpyrrol-1-yl)-2-methylbenzoic acid
CID 118052357
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide
CID 79291124
N-[(4-cyanophenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 134035332

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide?
The IUPAC name of 2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide (CID 175911856) is 2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for 2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide?
The canonical SMILES for 2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide is CN(C)C(=O)c1ccc(-n2cccc2)cc1C#N.
What is the InChIKey of 2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide?
The InChIKey is ZXFTZUYYVZPVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-16(2)14(18)13-6-5-12(9-11(13)10-15)17-7-3-4-8-17/h3-9H,1-2H3.
What are the key properties of 2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide?
2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide has a molecular weight of 239.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N,N-dimethyl-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 175911856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).