N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-cyclopropyl-N-methylmethanimidamide

C19H20ClFN2O — CID 68587998

IUPACN'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-cyclopropyl-N-methylmethanimidamide
SMILESCc1cc(Oc2ccc(Cl)c(F)c2)c(C)cc1/N=C/N(C)C1CC1
InChIInChI=1S/C19H20ClFN2O/c1-12-9-19(24-15-6-7-16(20)17(21)10-15)13(2)8-18(12)22-11-23(3)14-4-5-14/h6-11,14H,4-5H2,1-3H3/b22-11+
InChIKeyRHYYQPNRCRUUNY-SSDVNMTOSA-N
MW346.83 g/mol
LogP5.64
Rot. Bonds5

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

N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-cyclopropyl-N-methylmethanimidamide (PubChem CID 68587998) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-cyclopropyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-cyclopropyl-N-methylmethanimidamide
PubChem CID68587998
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC NameN'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-cyclopropyl-N-methylmethanimidamide
SMILESCc1cc(Oc2ccc(Cl)c(F)c2)c(C)cc1/N=C/N(C)C1CC1
InChIInChI=1S/C19H20ClFN2O/c1-12-9-19(24-15-6-7-16(20)17(21)10-15)13(2)8-18(12)22-11-23(3)14-4-5-14/h6-11,14H,4-5H2,1-3H3/b22-11+
InChIKeyRHYYQPNRCRUUNY-SSDVNMTOSA-N
XLogP5.64
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.83
LogP ≤ 55.64
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-cyclopropyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-cyclopropyl-N-methylmethanimidamide (CID 68587998) is N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-cyclopropyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-cyclopropyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-cyclopropyl-N-methylmethanimidamide is Cc1cc(Oc2ccc(Cl)c(F)c2)c(C)cc1/N=C/N(C)C1CC1.
What is the InChIKey of N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-cyclopropyl-N-methylmethanimidamide?
The InChIKey is RHYYQPNRCRUUNY-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-12-9-19(24-15-6-7-16(20)17(21)10-15)13(2)8-18(12)22-11-23(3)14-4-5-14/h6-11,14H,4-5H2,1-3H3/b22-11+.
What are the key properties of N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-cyclopropyl-N-methylmethanimidamide?
N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-cyclopropyl-N-methylmethanimidamide has a molecular weight of 346.83 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-chloro-3-fluorophenoxy)-2,5-dimethylphenyl]-N-cyclopropyl-N-methylmethanimidamide is sourced from PubChem (CID 68587998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).