N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide

C15H10FIN2O — CID 103841297

IUPACN-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1I)c1ccccc1C#N
InChIInChI=1S/C15H10FIN2O/c1-19(14-5-3-2-4-10(14)9-18)15(20)12-7-6-11(16)8-13(12)17/h2-8H,1H3
InChIKeyQAPAGKKHNIJAJU-UHFFFAOYSA-N
MW380.16 g/mol
LogP3.58
Rot. Bonds2

About N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide

N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide (PubChem CID 103841297) has the molecular formula C15H10FIN2O and a molecular weight of 380.16 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide
PubChem CID103841297
Molecular FormulaC15H10FIN2O
Molecular Weight380.16 g/mol
Exact Mass379.98
IUPAC NameN-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1I)c1ccccc1C#N
InChIInChI=1S/C15H10FIN2O/c1-19(14-5-3-2-4-10(14)9-18)15(20)12-7-6-11(16)8-13(12)17/h2-8H,1H3
InChIKeyQAPAGKKHNIJAJU-UHFFFAOYSA-N
XLogP3.58
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.16
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(2-cyanophenyl)-N-methyl-2-sulfanylbenzamide
CID 107032776
2-bromo-N-(2-cyanophenyl)-N,3-dimethylbenzamide
CID 103857236
N,N-bis(cyanomethyl)-4-fluoro-2-iodobenzamide
CID 60612844
4-amino-N-(2-cyanophenyl)-N-methylbenzamide
CID 54296865
3-[(2-cyanophenyl)-methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369822
3-chloro-N-(2-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 80644312
methyl 2-(2-cyano-N-methylanilino)-2-oxoacetate
CID 112617468
4-fluoro-2-iodo-N',N'-dimethylbenzohydrazide
CID 103626497
2-bromo-4-fluoro-N-methyl-N-phenylbenzamide
CID 24710295
5-chloro-N-(2-fluorophenyl)-2-iodo-N-methylbenzamide
CID 113230081
4-amino-N-(2-cyanophenyl)-N,3-dimethylbutanamide
CID 81079299
4-fluoro-N,N-bis(2-hydroxyethyl)-2-iodobenzamide
CID 103857248

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide?
The IUPAC name of N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide (CID 103841297) is N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide?
The canonical SMILES for N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide is CN(C(=O)c1ccc(F)cc1I)c1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide?
The InChIKey is QAPAGKKHNIJAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FIN2O/c1-19(14-5-3-2-4-10(14)9-18)15(20)12-7-6-11(16)8-13(12)17/h2-8H,1H3.
What are the key properties of N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide?
N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide has a molecular weight of 380.16 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-fluoro-2-iodo-N-methylbenzamide is sourced from PubChem (CID 103841297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).