2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide

C13H9ClFIN2O — CID 107624102

IUPAC2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide
SMILESNc1ccc(F)cc1C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C13H9ClFIN2O/c14-7-1-4-12(10(16)5-7)18-13(19)9-6-8(15)2-3-11(9)17/h1-6H,17H2,(H,18,19)
InChIKeyCTCAAZFGLNZPMU-UHFFFAOYSA-N
MW390.58 g/mol
LogP3.92
Rot. Bonds2

About 2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide

2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide (PubChem CID 107624102) has the molecular formula C13H9ClFIN2O and a molecular weight of 390.58 g/mol. Its IUPAC name is 2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide
PubChem CID107624102
Molecular FormulaC13H9ClFIN2O
Molecular Weight390.58 g/mol
Exact Mass389.94
IUPAC Name2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide
SMILESNc1ccc(F)cc1C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C13H9ClFIN2O/c14-7-1-4-12(10(16)5-7)18-13(19)9-6-8(15)2-3-11(9)17/h1-6H,17H2,(H,18,19)
InChIKeyCTCAAZFGLNZPMU-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

2-amino-5-chloro-N-(2,4-difluorophenyl)benzamide
CID 16796170
2-amino-N-[5-chloro-2-(dimethylamino)phenyl]-5-fluorobenzamide
CID 43710251
4-chloro-N-(4-fluoro-2-iodophenyl)-2-hydroxybenzamide
CID 79766720
N-(2-amino-5-fluorophenyl)-5-chloro-2-fluorobenzamide
CID 63257209
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616
2-amino-N-(4-fluoro-2-iodophenyl)-5-methoxybenzamide
CID 79769439
6-amino-N-(4-chloro-2-iodophenyl)-1,3-benzodioxole-5-carboxamide
CID 107624179
N-(4-chloro-2-iodophenyl)-2,3,4-trifluorobenzamide
CID 103766916
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
CID 103766879

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide?
The IUPAC name of 2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide (CID 107624102) is 2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide is Nc1ccc(F)cc1C(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide?
The InChIKey is CTCAAZFGLNZPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFIN2O/c14-7-1-4-12(10(16)5-7)18-13(19)9-6-8(15)2-3-11(9)17/h1-6H,17H2,(H,18,19).
What are the key properties of 2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide?
2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide 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 2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide is sourced from PubChem (CID 107624102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).