4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide

C13H9ClFIN2O — CID 79769352

IUPAC4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(F)cc2I)cc1Cl
InChIInChI=1S/C13H9ClFIN2O/c14-9-5-7(1-3-11(9)17)13(19)18-12-4-2-8(15)6-10(12)16/h1-6H,17H2,(H,18,19)
InChIKeyGYTWFRFVKHBPHE-UHFFFAOYSA-N
MW390.58 g/mol
LogP3.92
Rot. Bonds2

About 4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide

4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide (PubChem CID 79769352) has the molecular formula C13H9ClFIN2O and a molecular weight of 390.58 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide
PubChem CID79769352
Molecular FormulaC13H9ClFIN2O
Molecular Weight390.58 g/mol
Exact Mass389.94
IUPAC Name4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(F)cc2I)cc1Cl
InChIInChI=1S/C13H9ClFIN2O/c14-9-5-7(1-3-11(9)17)13(19)18-12-4-2-8(15)6-10(12)16/h1-6H,17H2,(H,18,19)
InChIKeyGYTWFRFVKHBPHE-UHFFFAOYSA-N
XLogP3.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768442
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
N-(4-fluoro-2-iodophenyl)-4-iodobenzamide
CID 79767050
3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide
CID 107526592
2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide
CID 107624102
3-amino-5-fluoro-N-(4-fluoro-2-iodophenyl)-4-methylbenzamide
CID 79769032
4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571216
N-(4-fluoro-2-iodophenyl)-3-hydroxy-4-methylbenzamide
CID 79766392
N-(2-chloro-4-fluorophenyl)-3-hydroxy-4-iodobenzamide
CID 104627344
2-[(3-amino-4-chlorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157769
N-(4-fluoro-2-iodophenyl)-4-methylsulfanylbenzamide
CID 79766642
3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide
CID 61090403

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide (CID 79769352) is 4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide is Nc1ccc(C(=O)Nc2ccc(F)cc2I)cc1Cl.
What is the InChIKey of 4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide?
The InChIKey is GYTWFRFVKHBPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFIN2O/c14-9-5-7(1-3-11(9)17)13(19)18-12-4-2-8(15)6-10(12)16/h1-6H,17H2,(H,18,19).
What are the key properties of 4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide?
4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide has a molecular weight of 390.58 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide is sourced from PubChem (CID 79769352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).