N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide

C21H18FIN2O — CID 10173887

IUPACN-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
SMILESCc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H18FIN2O/c1-14-11-17(23)8-10-19(14)25-20-12-16(22)7-9-18(20)21(26)24-13-15-5-3-2-4-6-15/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyPMRYRJFGVUNXAW-UHFFFAOYSA-N
MW460.29 g/mol
LogP5.41
Rot. Bonds5

About N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide

N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide (PubChem CID 10173887) has the molecular formula C21H18FIN2O and a molecular weight of 460.29 g/mol. Its IUPAC name is N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide.

Molecular Properties

Compound NameN-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
PubChem CID10173887
Molecular FormulaC21H18FIN2O
Molecular Weight460.29 g/mol
Exact Mass460.04
IUPAC NameN-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
SMILESCc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H18FIN2O/c1-14-11-17(23)8-10-19(14)25-20-12-16(22)7-9-18(20)21(26)24-13-15-5-3-2-4-6-15/h2-12,25H,13H2,1H3,(H,24,26)
InChIKeyPMRYRJFGVUNXAW-UHFFFAOYSA-N
XLogP5.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.29
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-(4-iodo-2-methylanilino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 10173990
4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide
CID 10216768
4-fluoro-N-(2-hydroxybutoxy)-2-(4-iodo-2-methylanilino)benzamide
CID 22286611
N-benzyl-2-(2-methylanilino)benzamide
CID 23737672
N-[4-fluoro-2-(4-iodo-2-methylanilino)phenyl]-2-methoxybenzamide
CID 174430701
N-[cyclobutyl(hydroxy)methoxy]-4-fluoro-2-(4-iodo-2-methylanilino)benzamide
CID 22285937
N-[(4-fluorophenyl)methyl]-2-hydroxy-5-iodobenzamide
CID 27256756
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-benzyl-2-iodo-4-methylbenzamide
CID 100523072
N-[3-(diethylamino)-2-hydroxypropyl]-5-fluoro-2-(4-iodo-2-methylanilino)benzamide
CID 22271689
N-benzyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 22518262
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide?
The IUPAC name of N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide (CID 10173887) is N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide.
What is the SMILES notation for N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide?
The canonical SMILES for N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide is Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide?
The InChIKey is PMRYRJFGVUNXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FIN2O/c1-14-11-17(23)8-10-19(14)25-20-12-16(22)7-9-18(20)21(26)24-13-15-5-3-2-4-6-15/h2-12,25H,13H2,1H3,(H,24,26).
What are the key properties of N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide?
N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide has a molecular weight of 460.29 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-2-(4-iodo-2-methylanilino)benzamide is sourced from PubChem (CID 10173887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).