N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide

C17H16INO — CID 46803663

IUPACN-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H16INO/c1-11-9-15(18)7-8-16(11)19-17(20)14-6-5-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3,(H,19,20)
InChIKeyVQYIOWBMTVKEHS-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.34
Rot. Bonds2

About N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide

N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 46803663) has the molecular formula C17H16INO and a molecular weight of 377.23 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID46803663
Molecular FormulaC17H16INO
Molecular Weight377.23 g/mol
Exact Mass377.03
IUPAC NameN-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(I)ccc1NC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H16INO/c1-11-9-15(18)7-8-16(11)19-17(20)14-6-5-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3,(H,19,20)
InChIKeyVQYIOWBMTVKEHS-UHFFFAOYSA-N
XLogP4.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.34
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

N-(4-iodo-2-methylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108795653
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18072524
N-(2-bromo-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 17489421
4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
4-amino-3-fluoro-N-(4-iodo-2-methylphenyl)benzamide
CID 63188157
4-bromo-N-(4-iodo-2-methylphenyl)benzamide
CID 1379401
N-(2-bromo-5-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 82707017
N-(3-chloro-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9011354
N-(2-bromo-5-chloro-4-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 104724066
N-(4-iodo-2-methylphenyl)-4-(methanesulfonamido)benzamide
CID 1249872
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
4-(bromomethyl)-N-(4-iodo-2-methylphenyl)benzamide
CID 102851138

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 46803663) is N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide is Cc1cc(I)ccc1NC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is VQYIOWBMTVKEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO/c1-11-9-15(18)7-8-16(11)19-17(20)14-6-5-12-3-2-4-13(12)10-14/h5-10H,2-4H2,1H3,(H,19,20).
What are the key properties of N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide?
N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 46803663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).