N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide

C12H14INO — CID 171064344

IUPACN-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide
SMILESCCc1cc(I)ccc1NC(=O)C1CC1
InChIInChI=1S/C12H14INO/c1-2-8-7-10(13)5-6-11(8)14-12(15)9-3-4-9/h5-7,9H,2-4H2,1H3,(H,14,15)
InChIKeyGFPDQCRDKLSMLY-UHFFFAOYSA-N
MW315.15 g/mol
LogP3.20
Rot. Bonds3

About N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide

N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide (PubChem CID 171064344) has the molecular formula C12H14INO and a molecular weight of 315.15 g/mol. Its IUPAC name is N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide
PubChem CID171064344
Molecular FormulaC12H14INO
Molecular Weight315.15 g/mol
Exact Mass315.01
IUPAC NameN-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide
SMILESCCc1cc(I)ccc1NC(=O)C1CC1
InChIInChI=1S/C12H14INO/c1-2-8-7-10(13)5-6-11(8)14-12(15)9-3-4-9/h5-7,9H,2-4H2,1H3,(H,14,15)
InChIKeyGFPDQCRDKLSMLY-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 53.20
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

1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
4-butyl-N-(2-chloro-4-iodophenyl)cyclohexane-1-carboxamide
CID 107606787
N-(4-bromo-2-ethylphenyl)oxane-4-carboxamide
CID 81003495
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
1-N-cyclopropyl-4-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109144748
2-(4-aminophenyl)-N-(2-ethyl-4-iodophenyl)acetamide
CID 91676563
N-[3-(aminomethyl)-2,4-diethylphenyl]cyclopropanecarboxamide;hydrochloride
CID 140529024
3,4-dichloro-N-(2-ethyl-4-iodophenyl)benzamide
CID 5014387
N-(2,6-diethylphenyl)cyclopropanecarboxamide
CID 5238371
4-N,4-N-diethyl-1-N-(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149427
3-[(4-bromo-2-ethylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 81288944
1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150775

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide?
The IUPAC name of N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide (CID 171064344) is N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide is CCc1cc(I)ccc1NC(=O)C1CC1.
What is the InChIKey of N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide?
The InChIKey is GFPDQCRDKLSMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO/c1-2-8-7-10(13)5-6-11(8)14-12(15)9-3-4-9/h5-7,9H,2-4H2,1H3,(H,14,15).
What are the key properties of N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide?
N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide has a molecular weight of 315.15 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-iodophenyl)cyclopropanecarboxamide is sourced from PubChem (CID 171064344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).