N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide

C15H14ClIN2O — CID 103218767

IUPACN-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
SMILESCc1cc(N)cc(C)c1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H14ClIN2O/c1-8-5-11(18)6-9(2)14(8)19-15(20)10-3-4-13(17)12(16)7-10/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyRJRNNODWRITODZ-UHFFFAOYSA-N
MW400.65 g/mol
LogP4.40
Rot. Bonds2

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

N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide (PubChem CID 103218767) has the molecular formula C15H14ClIN2O and a molecular weight of 400.65 g/mol. Its IUPAC name is N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
PubChem CID103218767
Molecular FormulaC15H14ClIN2O
Molecular Weight400.65 g/mol
Exact Mass399.98
IUPAC NameN-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide
SMILESCc1cc(N)cc(C)c1NC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C15H14ClIN2O/c1-8-5-11(18)6-9(2)14(8)19-15(20)10-3-4-13(17)12(16)7-10/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyRJRNNODWRITODZ-UHFFFAOYSA-N
XLogP4.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.65
LogP ≤ 54.40
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-(6-amino-2,3-dimethylphenyl)-3-chloro-4-iodobenzamide
CID 103218671
3-chloro-4-iodo-N-(2,4,6-triiodophenyl)benzamide
CID 103221386
4-amino-N-(4-amino-2,6-dimethylphenyl)benzamide
CID 50880717
N-(2-amino-6-chlorophenyl)-3-chloro-4-iodobenzamide
CID 103218725
N-(4-amino-2,6-dimethylphenyl)-4-methylbenzamide
CID 50880342
2-[(3-chloro-4-iodobenzoyl)amino]-3-methylbenzoic acid
CID 103218854
3-chloro-4-iodo-N-(2,4,5-trichlorophenyl)benzamide
CID 103220934
3-chloro-4-iodo-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 103734754
N-(4-amino-2,6-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 50880688
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)-4-iodobenzamide
CID 103828130
N-(4-amino-2-methylphenyl)-3,4-dichlorobenzamide
CID 16773684
3-chloro-4-iodo-N-methoxybenzamide
CID 103734914

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide?
The IUPAC name of N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide (CID 103218767) is N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide.
What is the SMILES notation for N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide?
The canonical SMILES for N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide is Cc1cc(N)cc(C)c1NC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide?
The InChIKey is RJRNNODWRITODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O/c1-8-5-11(18)6-9(2)14(8)19-15(20)10-3-4-13(17)12(16)7-10/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide?
N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide has a molecular weight of 400.65 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dimethylphenyl)-3-chloro-4-iodobenzamide is sourced from PubChem (CID 103218767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).