N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide

C16H15Cl2F2N3 — CID 146197861

IUPACN'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Cl)c(Nc2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C16H15Cl2F2N3/c1-3-23(2)9-21-15-7-12(18)16(8-11(15)17)22-14-5-4-10(19)6-13(14)20/h4-9,22H,3H2,1-2H3/b21-9+
InChIKeyJWJIIVZNNMLNPJ-ZVBGSRNCSA-N
MW358.22 g/mol
LogP5.63
Rot. Bonds5

About N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 146197861) has the molecular formula C16H15Cl2F2N3 and a molecular weight of 358.22 g/mol. Its IUPAC name is N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID146197861
Molecular FormulaC16H15Cl2F2N3
Molecular Weight358.22 g/mol
Exact Mass357.06
IUPAC NameN'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(Cl)c(Nc2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C16H15Cl2F2N3/c1-3-23(2)9-21-15-7-12(18)16(8-11(15)17)22-14-5-4-10(19)6-13(14)20/h4-9,22H,3H2,1-2H3/b21-9+
InChIKeyJWJIIVZNNMLNPJ-ZVBGSRNCSA-N
XLogP5.63
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.22
LogP ≤ 55.63
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'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197650
N'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 175171423
N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322874
N'-[4-(4-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197850
N'-[2-chloro-4-(4-fluoro-3-methoxyanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322849
N'-[5-chloro-4-(4-methoxyanilino)-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197725
N'-[4-(2,5-dimethylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197726
N'-[2-chloro-4-[(2-fluorophenyl)methylsulfonylamino]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197895
N'-[3-(2,4-difluoro-N-methylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154648101
N'-[4-(3,5-difluoroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197916
ethane;N-ethyl-N'-(4-fluoro-2-formylphenyl)-N-methylmethanimidamide
CID 176688125
N'-[2-chloro-5-methyl-4-(3,4,5-trifluoro-N-methylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 142322913

Frequently Asked Questions

What is the IUPAC name of N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide (CID 146197861) is N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(Cl)c(Nc2ccc(F)cc2F)cc1Cl.
What is the InChIKey of N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is JWJIIVZNNMLNPJ-ZVBGSRNCSA-N. The full InChI is InChI=1S/C16H15Cl2F2N3/c1-3-23(2)9-21-15-7-12(18)16(8-11(15)17)22-14-5-4-10(19)6-13(14)20/h4-9,22H,3H2,1-2H3/b21-9+.
What are the key properties of N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 358.22 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 146197861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).