N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide

C18H18INO2 — CID 133203842

IUPACN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide
SMILESCC1(C)CC(NC(=O)c2cccc(I)c2)c2ccccc2O1
InChIInChI=1S/C18H18INO2/c1-18(2)11-15(14-8-3-4-9-16(14)22-18)20-17(21)12-6-5-7-13(19)10-12/h3-10,15H,11H2,1-2H3,(H,20,21)
InChIKeyPNYMSJMKOSQTPI-UHFFFAOYSA-N
MW407.25 g/mol
LogP4.32
Rot. Bonds2

About N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide

N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide (PubChem CID 133203842) has the molecular formula C18H18INO2 and a molecular weight of 407.25 g/mol. Its IUPAC name is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide
PubChem CID133203842
Molecular FormulaC18H18INO2
Molecular Weight407.25 g/mol
Exact Mass407.04
IUPAC NameN-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide
SMILESCC1(C)CC(NC(=O)c2cccc(I)c2)c2ccccc2O1
InChIInChI=1S/C18H18INO2/c1-18(2)11-15(14-8-3-4-9-16(14)22-18)20-17(21)12-6-5-7-13(19)10-12/h3-10,15H,11H2,1-2H3,(H,20,21)
InChIKeyPNYMSJMKOSQTPI-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide 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-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,4-diethoxybenzamide
CID 100535222
N-[(4S)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-4-(methanesulfonamido)benzamide
CID 41368497
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(methanesulfonamido)-3-methylbenzamide
CID 132658758
3-chloro-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651440
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-[methyl(methylsulfonyl)amino]benzamide
CID 132658756
3-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-ethoxybenzamide
CID 133166366
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
5-bromo-2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133164751
3-methoxy-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651013
3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99994456
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methoxy-3-morpholin-4-ylbenzamide
CID 46977380

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide?
The IUPAC name of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide (CID 133203842) is N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide.
What is the SMILES notation for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide?
The canonical SMILES for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide is CC1(C)CC(NC(=O)c2cccc(I)c2)c2ccccc2O1.
What is the InChIKey of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide?
The InChIKey is PNYMSJMKOSQTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18INO2/c1-18(2)11-15(14-8-3-4-9-16(14)22-18)20-17(21)12-6-5-7-13(19)10-12/h3-10,15H,11H2,1-2H3,(H,20,21).
What are the key properties of N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide?
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide has a molecular weight of 407.25 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-iodobenzamide is sourced from PubChem (CID 133203842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).