3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C15H20ClIN2O — CID 119680372

IUPAC3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1I.Cl
InChIInChI=1S/C15H19IN2O.ClH/c1-8-2-5-11(7-12(8)16)18-15(19)13-9-3-4-10(6-9)14(13)17;/h2,5,7,9-10,13-14H,3-4,6,17H2,1H3,(H,18,19);1H
InChIKeyKRFFYJGINDFZAJ-UHFFFAOYSA-N
MW406.70 g/mol
LogP3.33
Rot. Bonds2

About 3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119680372) has the molecular formula C15H20ClIN2O and a molecular weight of 406.70 g/mol. Its IUPAC name is 3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119680372
Molecular FormulaC15H20ClIN2O
Molecular Weight406.70 g/mol
Exact Mass406.03
IUPAC Name3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1I.Cl
InChIInChI=1S/C15H19IN2O.ClH/c1-8-2-5-11(7-12(8)16)18-15(19)13-9-3-4-10(6-9)14(13)17;/h2,5,7,9-10,13-14H,3-4,6,17H2,1H3,(H,18,19);1H
InChIKeyKRFFYJGINDFZAJ-UHFFFAOYSA-N
XLogP3.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.70
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
3-amino-N-[3-(methanesulfonamido)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119711249
3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119797376
3-amino-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119780316
3-amino-N-(2-methyl-4-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119832843
3-amino-N-[3-(methylcarbamoylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702041
N-(4-acetamido-3-chlorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119700273
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119702824
N-(3-acetamido-4-fluorophenyl)-3-aminobicyclo[2.2.1]heptane-2-carboxamide
CID 119702825
3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119684897
(1R,2R,3S,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163395688
(1R,2S,3R,4S)-3-amino-N-[4-fluoro-3-(pentafluoro-λ6-sulfanyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 163396159

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119680372) is 3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cc1ccc(NC(=O)C2C3CCC(C3)C2N)cc1I.Cl.
What is the InChIKey of 3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is KRFFYJGINDFZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O.ClH/c1-8-2-5-11(7-12(8)16)18-15(19)13-9-3-4-10(6-9)14(13)17;/h2,5,7,9-10,13-14H,3-4,6,17H2,1H3,(H,18,19);1H.
What are the key properties of 3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 406.70 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119680372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).