N-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide

C19H20FIN2O — CID 68589909

IUPACN-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCc1cc(Oc2cc(F)cc(I)c2)c(C)cc1/N=C/N(C)C1CC1
InChIInChI=1S/C19H20FIN2O/c1-12-7-19(24-17-9-14(20)8-15(21)10-17)13(2)6-18(12)22-11-23(3)16-4-5-16/h6-11,16H,4-5H2,1-3H3/b22-11+
InChIKeyKVWRIFNFNAAXFF-SSDVNMTOSA-N
MW438.28 g/mol
LogP5.59
Rot. Bonds5

About N-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide

N-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide (PubChem CID 68589909) has the molecular formula C19H20FIN2O and a molecular weight of 438.28 g/mol. Its IUPAC name is N-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide
PubChem CID68589909
Molecular FormulaC19H20FIN2O
Molecular Weight438.28 g/mol
Exact Mass438.06
IUPAC NameN-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCc1cc(Oc2cc(F)cc(I)c2)c(C)cc1/N=C/N(C)C1CC1
InChIInChI=1S/C19H20FIN2O/c1-12-7-19(24-17-9-14(20)8-15(21)10-17)13(2)6-18(12)22-11-23(3)16-4-5-16/h6-11,16H,4-5H2,1-3H3/b22-11+
InChIKeyKVWRIFNFNAAXFF-SSDVNMTOSA-N
XLogP5.59
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.28
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide (CID 68589909) is N-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide is Cc1cc(Oc2cc(F)cc(I)c2)c(C)cc1/N=C/N(C)C1CC1.
What is the InChIKey of N-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide?
The InChIKey is KVWRIFNFNAAXFF-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H20FIN2O/c1-12-7-19(24-17-9-14(20)8-15(21)10-17)13(2)6-18(12)22-11-23(3)16-4-5-16/h6-11,16H,4-5H2,1-3H3/b22-11+.
What are the key properties of N-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide?
N-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide has a molecular weight of 438.28 g/mol, XLogP of 5.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[4-(3-fluoro-5-iodophenoxy)-2,5-dimethylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 68589909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).