N-(2-cyano-4-iodophenyl)formamide

C8H5IN2O — CID 168650901

IUPACN-(2-cyano-4-iodophenyl)formamide
SMILESN#Cc1cc(I)ccc1NC=O
InChIInChI=1S/C8H5IN2O/c9-7-1-2-8(11-5-12)6(3-7)4-10/h1-3,5H,(H,11,12)
InChIKeyLQLFUBROIJMGCN-UHFFFAOYSA-N
MW272.05 g/mol
LogP1.73
Rot. Bonds2

About N-(2-cyano-4-iodophenyl)formamide

N-(2-cyano-4-iodophenyl)formamide (PubChem CID 168650901) has the molecular formula C8H5IN2O and a molecular weight of 272.05 g/mol. Its IUPAC name is N-(2-cyano-4-iodophenyl)formamide.

Molecular Properties

Compound NameN-(2-cyano-4-iodophenyl)formamide
PubChem CID168650901
Molecular FormulaC8H5IN2O
Molecular Weight272.05 g/mol
Exact Mass271.94
IUPAC NameN-(2-cyano-4-iodophenyl)formamide
SMILESN#Cc1cc(I)ccc1NC=O
InChIInChI=1S/C8H5IN2O/c9-7-1-2-8(11-5-12)6(3-7)4-10/h1-3,5H,(H,11,12)
InChIKeyLQLFUBROIJMGCN-UHFFFAOYSA-N
XLogP1.73
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-5-iodobenzonitrile
CID 168537310
(2-cyano-4-iodophenyl)thiourea
CID 91875522
2,4-diiodobenzonitrile
CID 11199048
N-(4-amino-2-cyanophenyl)-4-iodobenzamide
CID 43548881
N-(2-cyano-4-fluorophenyl)-4-iodobenzamide
CID 79952957
5-chloro-2-(4-iodoanilino)benzonitrile
CID 63510924
5-iodo-2-(trifluoromethyl)benzonitrile
CID 66762150
5-amino-2-(2-cyano-4-iodophenyl)benzonitrile
CID 138665964
4-(2-amino-4-iodoanilino)benzene-1,2-dicarbonitrile
CID 107787081
N-[4-cyano-2-(trifluoromethyl)phenyl]formamide
CID 64992328
2-(3-iodoanilino)-5-methylbenzonitrile
CID 114016786
N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide
CID 53375374

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-iodophenyl)formamide?
The IUPAC name of N-(2-cyano-4-iodophenyl)formamide (CID 168650901) is N-(2-cyano-4-iodophenyl)formamide.
What is the SMILES notation for N-(2-cyano-4-iodophenyl)formamide?
The canonical SMILES for N-(2-cyano-4-iodophenyl)formamide is N#Cc1cc(I)ccc1NC=O.
What is the InChIKey of N-(2-cyano-4-iodophenyl)formamide?
The InChIKey is LQLFUBROIJMGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5IN2O/c9-7-1-2-8(11-5-12)6(3-7)4-10/h1-3,5H,(H,11,12).
What are the key properties of N-(2-cyano-4-iodophenyl)formamide?
N-(2-cyano-4-iodophenyl)formamide has a molecular weight of 272.05 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-iodophenyl)formamide is sourced from PubChem (CID 168650901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).