N-iodo-N,2-dimethylbenzamide

C9H10INO — CID 143099347

IUPACN-iodo-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)I
InChIInChI=1S/C9H10INO/c1-7-5-3-4-6-8(7)9(12)11(2)10/h3-6H,1-2H3
InChIKeySZNVOWSKYSEBAT-UHFFFAOYSA-N
MW275.09 g/mol
LogP2.42
Rot. Bonds1

About N-iodo-N,2-dimethylbenzamide

N-iodo-N,2-dimethylbenzamide (PubChem CID 143099347) has the molecular formula C9H10INO and a molecular weight of 275.09 g/mol. Its IUPAC name is N-iodo-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-iodo-N,2-dimethylbenzamide
PubChem CID143099347
Molecular FormulaC9H10INO
Molecular Weight275.09 g/mol
Exact Mass274.98
IUPAC NameN-iodo-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)I
InChIInChI=1S/C9H10INO/c1-7-5-3-4-6-8(7)9(12)11(2)10/h3-6H,1-2H3
InChIKeySZNVOWSKYSEBAT-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.09
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-iodo-N,2-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-chloro-N,2-dimethylbenzamide
CID 166437996
N,2-dimethylbenzohydrazide;hydrochloride
CID 21321934
N,2-dimethyl-N-phenylbenzamide
CID 5222383
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
N,2-dimethyl-N-propylbenzamide;ethane
CID 142246396
N,2-dimethyl-N-(4-methylphenyl)benzamide
CID 58207098
N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide
CID 82127029
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
N,2-dimethyl-N-pentan-2-ylbenzamide
CID 71253300
N,2-dimethyl-N-(3-methylbuta-1,2-dienyl)benzamide
CID 86054659
N-[(dimethylamino)methyl]-2-methylbenzamide
CID 67624413

Frequently Asked Questions

What is the IUPAC name of N-iodo-N,2-dimethylbenzamide?
The IUPAC name of N-iodo-N,2-dimethylbenzamide (CID 143099347) is N-iodo-N,2-dimethylbenzamide.
What is the SMILES notation for N-iodo-N,2-dimethylbenzamide?
The canonical SMILES for N-iodo-N,2-dimethylbenzamide is Cc1ccccc1C(=O)N(C)I.
What is the InChIKey of N-iodo-N,2-dimethylbenzamide?
The InChIKey is SZNVOWSKYSEBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO/c1-7-5-3-4-6-8(7)9(12)11(2)10/h3-6H,1-2H3.
What are the key properties of N-iodo-N,2-dimethylbenzamide?
N-iodo-N,2-dimethylbenzamide has a molecular weight of 275.09 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N,2-dimethylbenzamide is sourced from PubChem (CID 143099347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).