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

C14H10IN3O — CID 43548881

IUPACN-(4-amino-2-cyanophenyl)-4-iodobenzamide
SMILESN#Cc1cc(N)ccc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H10IN3O/c15-11-3-1-9(2-4-11)14(19)18-13-6-5-12(17)7-10(13)8-16/h1-7H,17H2,(H,18,19)
InChIKeyQOUYGXLFTOEVBN-UHFFFAOYSA-N
MW363.16 g/mol
LogP3.00
Rot. Bonds2

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

N-(4-amino-2-cyanophenyl)-4-iodobenzamide (PubChem CID 43548881) has the molecular formula C14H10IN3O and a molecular weight of 363.16 g/mol. Its IUPAC name is N-(4-amino-2-cyanophenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-cyanophenyl)-4-iodobenzamide
PubChem CID43548881
Molecular FormulaC14H10IN3O
Molecular Weight363.16 g/mol
Exact Mass362.99
IUPAC NameN-(4-amino-2-cyanophenyl)-4-iodobenzamide
SMILESN#Cc1cc(N)ccc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H10IN3O/c15-11-3-1-9(2-4-11)14(19)18-13-6-5-12(17)7-10(13)8-16/h1-7H,17H2,(H,18,19)
InChIKeyQOUYGXLFTOEVBN-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-(4-amino-2-cyanophenyl)-4-bromobenzamide
CID 43549008
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
N-(4-amino-2-cyanophenyl)pyridazine-4-carboxamide
CID 113439096
N-(4-amino-2-cyanophenyl)-3-chloro-4-methylbenzamide
CID 63194249
N-(2-amino-4-cyanophenyl)-4-iodobenzamide
CID 78965375
N-(4-amino-2-cyanophenyl)-5-methylfuran-3-carboxamide
CID 114818637
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458
N-(4-amino-2-bromophenyl)-4-cyanobenzamide
CID 43549549
N-(4-amino-2-cyanophenyl)-5-methylthiophene-2-carboxamide
CID 43548914
N-(4-amino-2-cyanophenyl)-2,5-dibromobenzamide
CID 114367683
N-(4-amino-2-cyanophenyl)-5-cyanopyridine-2-carboxamide
CID 63724359
N-(4-bromo-2-cyanophenyl)-4-cyanobenzamide
CID 81498291

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-cyanophenyl)-4-iodobenzamide?
The IUPAC name of N-(4-amino-2-cyanophenyl)-4-iodobenzamide (CID 43548881) is N-(4-amino-2-cyanophenyl)-4-iodobenzamide.
What is the SMILES notation for N-(4-amino-2-cyanophenyl)-4-iodobenzamide?
The canonical SMILES for N-(4-amino-2-cyanophenyl)-4-iodobenzamide is N#Cc1cc(N)ccc1NC(=O)c1ccc(I)cc1.
What is the InChIKey of N-(4-amino-2-cyanophenyl)-4-iodobenzamide?
The InChIKey is QOUYGXLFTOEVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3O/c15-11-3-1-9(2-4-11)14(19)18-13-6-5-12(17)7-10(13)8-16/h1-7H,17H2,(H,18,19).
What are the key properties of N-(4-amino-2-cyanophenyl)-4-iodobenzamide?
N-(4-amino-2-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-(4-amino-2-cyanophenyl)-4-iodobenzamide is sourced from PubChem (CID 43548881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).