N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide

C11H9F3INO — CID 163584041

IUPACN-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(I)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H9F3INO/c12-11(13,14)8-5-7(3-4-9(8)15)16-10(17)6-1-2-6/h3-6H,1-2H2,(H,16,17)
InChIKeyGJZCTFYVRASPSU-UHFFFAOYSA-N
MW355.10 g/mol
LogP3.66
Rot. Bonds2

About N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide

N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide (PubChem CID 163584041) has the molecular formula C11H9F3INO and a molecular weight of 355.10 g/mol. Its IUPAC name is N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
PubChem CID163584041
Molecular FormulaC11H9F3INO
Molecular Weight355.10 g/mol
Exact Mass354.97
IUPAC NameN-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(I)c(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C11H9F3INO/c12-11(13,14)8-5-7(3-4-9(8)15)16-10(17)6-1-2-6/h3-6H,1-2H2,(H,16,17)
InChIKeyGJZCTFYVRASPSU-UHFFFAOYSA-N
XLogP3.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.10
LogP ≤ 53.66
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-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 17462810
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 30089718
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 65484926
N-(3-chloro-4-iodophenyl)cyclohexanecarboxamide
CID 166607238
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119709839
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 32898423
N-(3-fluoro-4-hydroxyphenyl)cyclopropanecarboxamide
CID 64780100

Frequently Asked Questions

What is the IUPAC name of N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide (CID 163584041) is N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(I)c(C(F)(F)F)c1)C1CC1.
What is the InChIKey of N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The InChIKey is GJZCTFYVRASPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3INO/c12-11(13,14)8-5-7(3-4-9(8)15)16-10(17)6-1-2-6/h3-6H,1-2H2,(H,16,17).
What are the key properties of N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide has a molecular weight of 355.10 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-iodo-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 163584041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).