N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide

C19H15N3O3 — CID 39861425

IUPACN-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C19H15N3O3/c1-21(11-13-5-3-12(10-20)4-6-13)17(23)14-7-8-15-16(9-14)19(25)22(2)18(15)24/h3-9H,11H2,1-2H3
InChIKeyTYHHDFNFKCKYPY-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.06
Rot. Bonds3

About N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide

N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 39861425) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID39861425
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC NameN-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
SMILESCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C19H15N3O3/c1-21(11-13-5-3-12(10-20)4-6-13)17(23)14-7-8-15-16(9-14)19(25)22(2)18(15)24/h3-9H,11H2,1-2H3
InChIKeyTYHHDFNFKCKYPY-UHFFFAOYSA-N
XLogP2.06
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[(4-cyanophenyl)methyl]-2-methyl-1,3-dioxo-N-propan-2-ylisoindole-5-carboxamide
CID 86927009
3-bromo-N-[(4-cyanophenyl)methyl]-N,4-dimethylbenzamide
CID 79459673
N-[(4-cyanophenyl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 39858958
N-[(4-cyanophenyl)methyl]-N-methylthiophene-3-carboxamide
CID 39859854
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
N-butyl-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide
CID 32906535
N-[(4-cyanophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 39858086
4-N-[(4-cyanophenyl)methyl]-4-N-methyl-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 178070557
N-[(4-cyanophenyl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 39859947
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 37216605
4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 178070523

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide (CID 39861425) is N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide is CN(Cc1ccc(C#N)cc1)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is TYHHDFNFKCKYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-21(11-13-5-3-12(10-20)4-6-13)17(23)14-7-8-15-16(9-14)19(25)22(2)18(15)24/h3-9H,11H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide?
N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N,2-dimethyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 39861425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).