N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide

C13H9Cl2IN2O — CID 103218725

IUPACN-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide
SMILESNc1cccc(Cl)c1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H9Cl2IN2O/c14-8-2-1-3-11(17)12(8)18-13(19)7-4-5-10(16)9(15)6-7/h1-6H,17H2,(H,18,19)
InChIKeyXCTGNCBRCOQFGL-UHFFFAOYSA-N
MW407.04 g/mol
LogP4.43
Rot. Bonds2

About N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide

N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide (PubChem CID 103218725) has the molecular formula C13H9Cl2IN2O and a molecular weight of 407.04 g/mol. Its IUPAC name is N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide
PubChem CID103218725
Molecular FormulaC13H9Cl2IN2O
Molecular Weight407.04 g/mol
Exact Mass405.91
IUPAC NameN-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide
SMILESNc1cccc(Cl)c1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H9Cl2IN2O/c14-8-2-1-3-11(17)12(8)18-13(19)7-4-5-10(16)9(15)6-7/h1-6H,17H2,(H,18,19)
InChIKeyXCTGNCBRCOQFGL-UHFFFAOYSA-N
XLogP4.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.04
LogP ≤ 54.43
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

N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide
CID 62086045
N-(6-amino-2,3-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218671
3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 103221386
N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218767
N-(2-amino-6-chlorophenyl)-3,4-dimethoxybenzamide
CID 62084435
N-(2-amino-6-chlorophenyl)-4-tert-butylbenzamide
CID 62083724
N-(2-bromo-6-fluorophenyl)-3-chloro-4-iodobenzamide
CID 107600677
N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283939
N-(3-amino-4-bromophenyl)-3-chloro-4-iodobenzamide
CID 103218765
2-[(3-chloro-4-iodobenzoyl)amino]-3-methylbenzoic acid
CID 103218854
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
N-(2-chloro-6-methylphenyl)-3-hydroxy-4-iodobenzamide
CID 104629237

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide?
The IUPAC name of N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide (CID 103218725) is N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide.
What is the SMILES notation for N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide?
The canonical SMILES for N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide is Nc1cccc(Cl)c1NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide?
The InChIKey is XCTGNCBRCOQFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2IN2O/c14-8-2-1-3-11(17)12(8)18-13(19)7-4-5-10(16)9(15)6-7/h1-6H,17H2,(H,18,19).
What are the key properties of N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide?
N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide has a molecular weight of 407.04 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide is sourced from PubChem (CID 103218725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).