N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

C17H19ClFN3 — CID 142322874

IUPACN'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(Nc2ccccc2Cl)cc1C
InChIInChI=1S/C17H19ClFN3/c1-4-22(3)11-20-16-10-14(19)17(9-12(16)2)21-15-8-6-5-7-13(15)18/h5-11,21H,4H2,1-3H3/b20-11+
InChIKeyUTZVMCLURDLHLY-RGVLZGJSSA-N
MW319.81 g/mol
LogP5.14
Rot. Bonds5

About N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 142322874) has the molecular formula C17H19ClFN3 and a molecular weight of 319.81 g/mol. Its IUPAC name is N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID142322874
Molecular FormulaC17H19ClFN3
Molecular Weight319.81 g/mol
Exact Mass319.13
IUPAC NameN'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(Nc2ccccc2Cl)cc1C
InChIInChI=1S/C17H19ClFN3/c1-4-22(3)11-20-16-10-14(19)17(9-12(16)2)21-15-8-6-5-7-13(15)18/h5-11,21H,4H2,1-3H3/b20-11+
InChIKeyUTZVMCLURDLHLY-RGVLZGJSSA-N
XLogP5.14
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.81
LogP ≤ 55.14
H-Bond Donors ≤ 51
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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Related Compounds

N'-[4-(4-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197850
N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197726
N'-[4-(3,5-difluoroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197916
N'-[4-(2-bromoanilino)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197869
N'-[2-chloro-4-(2-fluoro-5-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197712
N-ethyl-N'-[4-(3-fluoro-4-methylanilino)-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 146197724
N'-[5-chloro-4-(4-methoxyanilino)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197725
N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197861
N'-[4-[(4-chlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146381292
N'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 175171423
N'-[4-[(2,4-dichlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146380949
N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197650

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 142322874) is N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(F)c(Nc2ccccc2Cl)cc1C.
What is the InChIKey of N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is UTZVMCLURDLHLY-RGVLZGJSSA-N. The full InChI is InChI=1S/C17H19ClFN3/c1-4-22(3)11-20-16-10-14(19)17(9-12(16)2)21-15-8-6-5-7-13(15)18/h5-11,21H,4H2,1-3H3/b20-11+.
What are the key properties of N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 319.81 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 142322874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).