N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide

C14H10ClIN2O3 — CID 104668259

IUPACN-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H10ClIN2O3/c1-8-6-13(18(20)21)11(15)7-12(8)17-14(19)9-2-4-10(16)5-3-9/h2-7H,1H3,(H,17,19)
InChIKeyBBWFYOLCZHYMHQ-UHFFFAOYSA-N
MW416.60 g/mol
LogP4.41
Rot. Bonds3

About N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide

N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide (PubChem CID 104668259) has the molecular formula C14H10ClIN2O3 and a molecular weight of 416.60 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
PubChem CID104668259
Molecular FormulaC14H10ClIN2O3
Molecular Weight416.60 g/mol
Exact Mass415.94
IUPAC NameN-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(I)cc1
InChIInChI=1S/C14H10ClIN2O3/c1-8-6-13(18(20)21)11(15)7-12(8)17-14(19)9-2-4-10(16)5-3-9/h2-7H,1H3,(H,17,19)
InChIKeyBBWFYOLCZHYMHQ-UHFFFAOYSA-N
XLogP4.41
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.60
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-4-iodobenzamide
CID 17115404
3-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)-4-methylbenzamide
CID 17102161
N-(5-chloro-2-methyl-4-nitrophenyl)-4-phenylbenzamide
CID 2910019
N-(5-chloro-2-methyl-4-nitrophenyl)-4-ethylbenzamide
CID 17102186
4-butoxy-N-(5-chloro-2-methyl-4-nitrophenyl)benzamide
CID 17102214
N-(5-chloro-2-methyl-4-nitrophenyl)-2,4-dimethylbenzamide
CID 3683466
2-chloro-N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-5-iodobenzamide
CID 17115403
N-(4-chloro-3-nitrophenyl)-4-iodobenzamide
CID 1340842
4-iodo-N-(5-methyl-2-nitrophenyl)benzamide
CID 115912666
N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-4-methyl-3-nitrobenzamide
CID 22775384
4-amino-N-(2,5-dimethyl-4-nitrophenyl)benzamide
CID 103145399
5-bromo-N-(5-chloro-2-methyl-4-nitrophenyl)furan-2-carboxamide
CID 2909842

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide?
The IUPAC name of N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide (CID 104668259) is N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide.
What is the SMILES notation for N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide?
The canonical SMILES for N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide is Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(I)cc1.
What is the InChIKey of N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide?
The InChIKey is BBWFYOLCZHYMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClIN2O3/c1-8-6-13(18(20)21)11(15)7-12(8)17-14(19)9-2-4-10(16)5-3-9/h2-7H,1H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide?
N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide has a molecular weight of 416.60 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methyl-4-nitrophenyl)-4-iodobenzamide is sourced from PubChem (CID 104668259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).