N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide

C14H10BrClINO — CID 3480421

IUPACN-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc(I)ccc1Cl
InChIInChI=1S/C14H10BrClINO/c1-8-6-9(15)2-5-13(8)18-14(19)11-7-10(17)3-4-12(11)16/h2-7H,1H3,(H,18,19)
InChIKeyIMFZTUCNVVVVBY-UHFFFAOYSA-N
MW450.50 g/mol
LogP5.27
Rot. Bonds2

About N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide

N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide (PubChem CID 3480421) has the molecular formula C14H10BrClINO and a molecular weight of 450.50 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide
PubChem CID3480421
Molecular FormulaC14H10BrClINO
Molecular Weight450.50 g/mol
Exact Mass448.87
IUPAC NameN-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide
SMILESCc1cc(Br)ccc1NC(=O)c1cc(I)ccc1Cl
InChIInChI=1S/C14H10BrClINO/c1-8-6-9(15)2-5-13(8)18-14(19)11-7-10(17)3-4-12(11)16/h2-7H,1H3,(H,18,19)
InChIKeyIMFZTUCNVVVVBY-UHFFFAOYSA-N
XLogP5.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
4-bromo-N-(2-chloro-4-iodophenyl)-2-methylbenzamide
CID 107606789
5-bromo-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 65311639
5-bromo-2-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 103600330
4-bromo-N-(4-bromo-2-methylphenyl)-2-methylbenzamide
CID 43629933
2-[(4-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 63405749
N-(4-bromo-2-chlorophenyl)-2-hydroxy-5-iodobenzamide
CID 107731654
2-[(5-bromo-2-methylbenzoyl)amino]-5-iodobenzoic acid
CID 65307924
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloro-5-iodobenzamide
CID 4509262
N-(4-bromo-2-methylphenyl)-2,4-dimethylbenzamide
CID 953255
2-hydroxy-5-iodo-N-(4-iodo-2-methylphenyl)benzamide
CID 86251688

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide (CID 3480421) is N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide is Cc1cc(Br)ccc1NC(=O)c1cc(I)ccc1Cl.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide?
The InChIKey is IMFZTUCNVVVVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClINO/c1-8-6-9(15)2-5-13(8)18-14(19)11-7-10(17)3-4-12(11)16/h2-7H,1H3,(H,18,19).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide?
N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide has a molecular weight of 450.50 g/mol, XLogP of 5.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-chloro-5-iodobenzamide is sourced from PubChem (CID 3480421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).