N-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

C14H17BrINO — CID 114259357

IUPACN-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2ccc(Br)c(I)c2)C1(C)C
InChIInChI=1S/C14H17BrINO/c1-13(2)11(14(13,3)4)12(18)17-8-5-6-9(15)10(16)7-8/h5-7,11H,1-4H3,(H,17,18)
InChIKeyGYLBCSMZXBKVSK-UHFFFAOYSA-N
MW422.10 g/mol
LogP4.67
Rot. Bonds2

About N-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide

N-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (PubChem CID 114259357) has the molecular formula C14H17BrINO and a molecular weight of 422.10 g/mol. Its IUPAC name is N-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
PubChem CID114259357
Molecular FormulaC14H17BrINO
Molecular Weight422.10 g/mol
Exact Mass420.95
IUPAC NameN-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)Nc2ccc(Br)c(I)c2)C1(C)C
InChIInChI=1S/C14H17BrINO/c1-13(2)11(14(13,3)4)12(18)17-8-5-6-9(15)10(16)7-8/h5-7,11H,1-4H3,(H,17,18)
InChIKeyGYLBCSMZXBKVSK-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 54.67
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-(4-bromo-3-iodophenyl)-1-methylcyclopropane-1-carboxamide
CID 130162731
N-(4-acetamidophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23916671
1-(4-bromo-3-iodophenyl)-3-propan-2-ylurea
CID 130158679
(2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide
CID 113266605
N-(4-hydroxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476911
N-(4-bromo-3-iodophenyl)-2,5-dichlorobenzamide
CID 114259361
N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476131
N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
N-(4-bromo-3-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 114259349
(E)-N-(4-bromo-3-iodophenyl)-3-phenylprop-2-enamide
CID 114259316
N-(4-bromo-3-iodophenyl)-2-phenoxyacetamide
CID 114259290
methyl 3-(4-bromo-3-iodoanilino)-2-methylbutanoate
CID 114260399

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide (CID 114259357) is N-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is CC1(C)C(C(=O)Nc2ccc(Br)c(I)c2)C1(C)C.
What is the InChIKey of N-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
The InChIKey is GYLBCSMZXBKVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrINO/c1-13(2)11(14(13,3)4)12(18)17-8-5-6-9(15)10(16)7-8/h5-7,11H,1-4H3,(H,17,18).
What are the key properties of N-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide?
N-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide has a molecular weight of 422.10 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-iodophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide is sourced from PubChem (CID 114259357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).