N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide

C17H16INO — CID 97455792

IUPACN-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1ccccc1I)c1cccc2c1CCCC2
InChIInChI=1S/C17H16INO/c18-15-10-3-4-11-16(15)19-17(20)14-9-5-7-12-6-1-2-8-13(12)14/h3-5,7,9-11H,1-2,6,8H2,(H,19,20)
InChIKeyAHCSWFHEXSHNAB-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.42
Rot. Bonds2

About N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide

N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide (PubChem CID 97455792) has the molecular formula C17H16INO and a molecular weight of 377.23 g/mol. Its IUPAC name is N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
PubChem CID97455792
Molecular FormulaC17H16INO
Molecular Weight377.23 g/mol
Exact Mass377.03
IUPAC NameN-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1ccccc1I)c1cccc2c1CCCC2
InChIInChI=1S/C17H16INO/c18-15-10-3-4-11-16(15)19-17(20)14-9-5-7-12-6-1-2-8-13(12)14/h3-5,7,9-11H,1-2,6,8H2,(H,19,20)
InChIKeyAHCSWFHEXSHNAB-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
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-(2-propan-2-ylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98001091
N-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 97455780
N-[2-(2H-tetrazol-5-yl)phenyl]-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 162647842
3-hydroxy-2-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 82782191
N-(2-chloro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 97455745
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874
2-ethoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 16545688
2-ethylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 8795745
N-(2-acetamido-5-methylphenyl)-2,3-dihydro-1H-indene-4-carboxamide
CID 126795816
N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752
2-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977715
N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98000866

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide (CID 97455792) is N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide is O=C(Nc1ccccc1I)c1cccc2c1CCCC2.
What is the InChIKey of N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
The InChIKey is AHCSWFHEXSHNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO/c18-15-10-3-4-11-16(15)19-17(20)14-9-5-7-12-6-1-2-8-13(12)14/h3-5,7,9-11H,1-2,6,8H2,(H,19,20).
What are the key properties of N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide?
N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide has a molecular weight of 377.23 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 97455792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).