N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

C18H18INO2 — CID 84569194

IUPACN-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2C(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C18H18INO2/c1-11-9-13(19)5-8-17(11)20-18(21)16-10-15(16)12-3-6-14(22-2)7-4-12/h3-9,15-16H,10H2,1-2H3,(H,20,21)
InChIKeyCKAJNQXIJSGSHK-UHFFFAOYSA-N
MW407.25 g/mol
LogP4.35
Rot. Bonds4

About N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide

N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 84569194) has the molecular formula C18H18INO2 and a molecular weight of 407.25 g/mol. Its IUPAC name is N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID84569194
Molecular FormulaC18H18INO2
Molecular Weight407.25 g/mol
Exact Mass407.04
IUPAC NameN-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(C2CC2C(=O)Nc2ccc(I)cc2C)cc1
InChIInChI=1S/C18H18INO2/c1-11-9-13(19)5-8-17(11)20-18(21)16-10-15(16)12-3-6-14(22-2)7-4-12/h3-9,15-16H,10H2,1-2H3,(H,20,21)
InChIKeyCKAJNQXIJSGSHK-UHFFFAOYSA-N
XLogP4.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
CID 84569190
2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 84569198
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
methyl 4-chloro-3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 84569184
2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid
CID 119231558
(3S,4S)-N-(4-methoxy-2-methylphenyl)-4-methylpyrrolidine-3-carboxamide
CID 114084896
2-hydroxy-N-(4-iodo-2-methylphenyl)cyclopentane-1-carboxamide
CID 110013609
cis-(1R,2S)-N-(4-fluoro-2-methoxyphenyl)-2-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 32611358
N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009885
trans-(1R,2R)-N-(1,4-dimethyl-2-oxo-3-pyridinyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 154866052
N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569153
N-(2-butan-2-ylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569199

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide (CID 84569194) is N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(C2CC2C(=O)Nc2ccc(I)cc2C)cc1.
What is the InChIKey of N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is CKAJNQXIJSGSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18INO2/c1-11-9-13(19)5-8-17(11)20-18(21)16-10-15(16)12-3-6-14(22-2)7-4-12/h3-9,15-16H,10H2,1-2H3,(H,20,21).
What are the key properties of N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide?
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 407.25 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 84569194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).