N-(2-iodophenyl)cyclopent-3-ene-1-carboxamide

C12H12INO — CID 64767364

IUPACN-(2-iodophenyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1ccccc1I)C1CC=CC1
InChIInChI=1S/C12H12INO/c13-10-7-3-4-8-11(10)14-12(15)9-5-1-2-6-9/h1-4,7-9H,5-6H2,(H,14,15)
InChIKeyITKCUKBBXIINFG-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.20
Rot. Bonds2

About N-(2-iodophenyl)cyclopent-3-ene-1-carboxamide

N-(2-iodophenyl)cyclopent-3-ene-1-carboxamide (PubChem CID 64767364) has the molecular formula C12H12INO and a molecular weight of 313.14 g/mol. Its IUPAC name is N-(2-iodophenyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-iodophenyl)cyclopent-3-ene-1-carboxamide
PubChem CID64767364
Molecular FormulaC12H12INO
Molecular Weight313.14 g/mol
Exact Mass313.00
IUPAC NameN-(2-iodophenyl)cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1ccccc1I)C1CC=CC1
InChIInChI=1S/C12H12INO/c13-10-7-3-4-8-11(10)14-12(15)9-5-1-2-6-9/h1-4,7-9H,5-6H2,(H,14,15)
InChIKeyITKCUKBBXIINFG-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 66030489
N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
CID 78281148
N-(2-iodophenyl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 166311766
2-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 64824088
2-(cyclopent-3-ene-1-carbonylamino)-6-methylbenzoic acid
CID 64766478
2-(cyclopent-3-ene-1-carbonylamino)-6-fluorobenzoic acid
CID 64767259
1-(1,3-benzoxazol-2-yl)-N-(2-iodophenyl)piperidine-4-carboxamide
CID 16590448
2-[[(1R)-cyclohex-3-ene-1-carbonyl]amino]-N-cyclopropylbenzamide
CID 51455987
N-[2-(methylaminomethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 43601055
N-[2-(cyclopentanecarbonylamino)phenyl]cyclopentanecarboxamide
CID 837694
N-[3-(cyclopropanecarbonylamino)-2-methylphenyl]-2-iodobenzamide
CID 46761195
(1S,2R,3R,4S)-3-[(2-iodophenyl)carbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98296972

Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(2-iodophenyl)cyclopent-3-ene-1-carboxamide (CID 64767364) is N-(2-iodophenyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-iodophenyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(2-iodophenyl)cyclopent-3-ene-1-carboxamide is O=C(Nc1ccccc1I)C1CC=CC1.
What is the InChIKey of N-(2-iodophenyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is ITKCUKBBXIINFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12INO/c13-10-7-3-4-8-11(10)14-12(15)9-5-1-2-6-9/h1-4,7-9H,5-6H2,(H,14,15).
What are the key properties of N-(2-iodophenyl)cyclopent-3-ene-1-carboxamide?
N-(2-iodophenyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 313.14 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64767364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).