N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide

C19H20IN3O — CID 55717328

IUPACN-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide
SMILESCN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(I)c1
InChIInChI=1S/C19H20IN3O/c1-22(2)10-11-23(14-16-8-6-15(13-21)7-9-16)19(24)17-4-3-5-18(20)12-17/h3-9,12H,10-11,14H2,1-2H3
InChIKeyHUNFHKHCSXWQER-UHFFFAOYSA-N
MW433.29 g/mol
LogP3.37
Rot. Bonds6

About N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide

N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide (PubChem CID 55717328) has the molecular formula C19H20IN3O and a molecular weight of 433.29 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide
PubChem CID55717328
Molecular FormulaC19H20IN3O
Molecular Weight433.29 g/mol
Exact Mass433.07
IUPAC NameN-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide
SMILESCN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(I)c1
InChIInChI=1S/C19H20IN3O/c1-22(2)10-11-23(14-16-8-6-15(13-21)7-9-16)19(24)17-4-3-5-18(20)12-17/h3-9,12H,10-11,14H2,1-2H3
InChIKeyHUNFHKHCSXWQER-UHFFFAOYSA-N
XLogP3.37
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 55717517
N-[(4-cyanophenyl)methyl]-4-(difluoromethoxy)-N-[2-(dimethylamino)ethyl]-3-methoxybenzamide
CID 55717695
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 167942565
N-(2-aminoethyl)-N-benzyl-3-iodobenzamide
CID 104859550
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-4-fluoro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55779819
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1H-indazole-7-carboxamide
CID 60573923
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
methyl 6-[(4-cyanophenyl)methyl-[2-(dimethylamino)ethyl]carbamoyl]pyridine-3-carboxylate
CID 60573978
4-[[2-(dimethylamino)ethyl-methylamino]methyl]benzonitrile
CID 55149643
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide
CID 55717458
1-[(4-cyanophenyl)methyl]-1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea
CID 78894452
3-iodo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 60631085

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide (CID 55717328) is N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide is CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(I)c1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide?
The InChIKey is HUNFHKHCSXWQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20IN3O/c1-22(2)10-11-23(14-16-8-6-15(13-21)7-9-16)19(24)17-4-3-5-18(20)12-17/h3-9,12H,10-11,14H2,1-2H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide?
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide has a molecular weight of 433.29 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-iodobenzamide is sourced from PubChem (CID 55717328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).