N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide

C13H14INO — CID 79600560

IUPACN-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1C2CCCC21
InChIInChI=1S/C13H14INO/c14-8-4-6-9(7-5-8)15-13(16)12-10-2-1-3-11(10)12/h4-7,10-12H,1-3H2,(H,15,16)
InChIKeyHYCOBSFHLKUOTC-UHFFFAOYSA-N
MW327.17 g/mol
LogP3.28
Rot. Bonds2

About N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide

N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 79600560) has the molecular formula C13H14INO and a molecular weight of 327.17 g/mol. Its IUPAC name is N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID79600560
Molecular FormulaC13H14INO
Molecular Weight327.17 g/mol
Exact Mass327.01
IUPAC NameN-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(Nc1ccc(I)cc1)C1C2CCCC21
InChIInChI=1S/C13H14INO/c14-8-4-6-9(7-5-8)15-13(16)12-10-2-1-3-11(10)12/h4-7,10-12H,1-3H2,(H,15,16)
InChIKeyHYCOBSFHLKUOTC-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 53.28
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

(1R,4Z,8E,12R)-N-(4-iodophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 11891872
(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 6968106
N-(4-formylphenyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 106912187
cis-(1S,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7312287
(1R,2S,3S,4R)-3-[(4-iodophenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 124577960
4-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63788351
trans-(1R,2R)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 7312282
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
N-[4-(2-oxoimidazolidin-1-yl)phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79593546
(1S,4Z,8S)-N-(4-fluorophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5415413
(1S,8S)-N-(4-bromophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 950516
(1R,2S,3R,4S)-3-N-(4-iodophenyl)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 67996336

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 79600560) is N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide is O=C(Nc1ccc(I)cc1)C1C2CCCC21.
What is the InChIKey of N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is HYCOBSFHLKUOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14INO/c14-8-4-6-9(7-5-8)15-13(16)12-10-2-1-3-11(10)12/h4-7,10-12H,1-3H2,(H,15,16).
What are the key properties of N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 327.17 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 79600560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).