N-(2-amino-4-cyanophenyl)-4-iodobenzamide

C14H10IN3O — CID 78965375

IUPACN-(2-amino-4-cyanophenyl)-4-iodobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(I)cc2)c(N)c1
InChIInChI=1S/C14H10IN3O/c15-11-4-2-10(3-5-11)14(19)18-13-6-1-9(8-16)7-12(13)17/h1-7H,17H2,(H,18,19)
InChIKeyNJUBHDGBGZXAGL-UHFFFAOYSA-N
MW363.16 g/mol
LogP3.00
Rot. Bonds2

About N-(2-amino-4-cyanophenyl)-4-iodobenzamide

N-(2-amino-4-cyanophenyl)-4-iodobenzamide (PubChem CID 78965375) has the molecular formula C14H10IN3O and a molecular weight of 363.16 g/mol. Its IUPAC name is N-(2-amino-4-cyanophenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-cyanophenyl)-4-iodobenzamide
PubChem CID78965375
Molecular FormulaC14H10IN3O
Molecular Weight363.16 g/mol
Exact Mass362.99
IUPAC NameN-(2-amino-4-cyanophenyl)-4-iodobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(I)cc2)c(N)c1
InChIInChI=1S/C14H10IN3O/c15-11-4-2-10(3-5-11)14(19)18-13-6-1-9(8-16)7-12(13)17/h1-7H,17H2,(H,18,19)
InChIKeyNJUBHDGBGZXAGL-UHFFFAOYSA-N
XLogP3.00
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-cyanophenyl)-4-methylbenzamide
CID 78965634
N-(2-amino-4-cyanophenyl)-3,5-dibromobenzamide
CID 107971053
N-(2-amino-4-cyanophenyl)-3-fluoro-4-methylbenzamide
CID 78965367
N-(2-amino-4-cyanophenyl)-3-bromo-4-fluorobenzamide
CID 107948846
N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
N-(2-amino-4-cyanophenyl)pyridine-3-carboxamide
CID 78965630
N-(2-amino-4-cyanophenyl)-4-fluoro-3-methoxybenzamide
CID 81287674
N-(2-amino-4-cyanophenyl)-3-bromo-5-fluorobenzamide
CID 78965489
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 103799745
N-(2-amino-4-cyanophenyl)-2,2-dimethylpropanamide
CID 78965394
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-cyanophenyl)-4-iodobenzamide?
The IUPAC name of N-(2-amino-4-cyanophenyl)-4-iodobenzamide (CID 78965375) is N-(2-amino-4-cyanophenyl)-4-iodobenzamide.
What is the SMILES notation for N-(2-amino-4-cyanophenyl)-4-iodobenzamide?
The canonical SMILES for N-(2-amino-4-cyanophenyl)-4-iodobenzamide is N#Cc1ccc(NC(=O)c2ccc(I)cc2)c(N)c1.
What is the InChIKey of N-(2-amino-4-cyanophenyl)-4-iodobenzamide?
The InChIKey is NJUBHDGBGZXAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3O/c15-11-4-2-10(3-5-11)14(19)18-13-6-1-9(8-16)7-12(13)17/h1-7H,17H2,(H,18,19).
What are the key properties of N-(2-amino-4-cyanophenyl)-4-iodobenzamide?
N-(2-amino-4-cyanophenyl)-4-iodobenzamide has a molecular weight of 363.16 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-cyanophenyl)-4-iodobenzamide is sourced from PubChem (CID 78965375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).