N'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide

C19H23ClFN3 — CID 142322782

IUPACN'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C)c2cc(C)ccc2F)cc1Cl
InChIInChI=1S/C19H23ClFN3/c1-6-23(4)12-22-17-10-14(3)18(11-15(17)20)24(5)19-9-13(2)7-8-16(19)21/h7-12H,6H2,1-5H3/b22-12+
InChIKeyLFWOILMHBXPBFC-WSDLNYQXSA-N
MW347.87 g/mol
LogP5.48
Rot. Bonds5

About N'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 142322782) has the molecular formula C19H23ClFN3 and a molecular weight of 347.87 g/mol. Its IUPAC name is N'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID142322782
Molecular FormulaC19H23ClFN3
Molecular Weight347.87 g/mol
Exact Mass347.16
IUPAC NameN'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(N(C)c2cc(C)ccc2F)cc1Cl
InChIInChI=1S/C19H23ClFN3/c1-6-23(4)12-22-17-10-14(3)18(11-15(17)20)24(5)19-9-13(2)7-8-16(19)21/h7-12H,6H2,1-5H3/b22-12+
InChIKeyLFWOILMHBXPBFC-WSDLNYQXSA-N
XLogP5.48
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.87
LogP ≤ 55.48
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'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 142322782) is N'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(N(C)c2cc(C)ccc2F)cc1Cl.
What is the InChIKey of N'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is LFWOILMHBXPBFC-WSDLNYQXSA-N. The full InChI is InChI=1S/C19H23ClFN3/c1-6-23(4)12-22-17-10-14(3)18(11-15(17)20)24(5)19-9-13(2)7-8-16(19)21/h7-12H,6H2,1-5H3/b22-12+.
What are the key properties of N'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 347.87 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-4-(2-fluoro-N,5-dimethylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 142322782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).