N'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide

C17H18ClF2N3 — CID 175171423

IUPACN'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cl)c(Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H18ClF2N3/c1-4-23(3)10-21-13-7-11(2)17(18)16(9-13)22-15-6-5-12(19)8-14(15)20/h5-10,22H,4H2,1-3H3/b21-10+
InChIKeyPMCOPIRGEZJHHR-UFFVCSGVSA-N
MW337.80 g/mol
LogP5.28
Rot. Bonds5

About N'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 175171423) has the molecular formula C17H18ClF2N3 and a molecular weight of 337.80 g/mol. Its IUPAC name is N'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID175171423
Molecular FormulaC17H18ClF2N3
Molecular Weight337.80 g/mol
Exact Mass337.12
IUPAC NameN'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Cl)c(Nc2ccc(F)cc2F)c1
InChIInChI=1S/C17H18ClF2N3/c1-4-23(3)10-21-13-7-11(2)17(18)16(9-13)22-15-6-5-12(19)8-14(15)20/h5-10,22H,4H2,1-3H3/b21-10+
InChIKeyPMCOPIRGEZJHHR-UFFVCSGVSA-N
XLogP5.28
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.80
LogP ≤ 55.28
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-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197861
N'-[4-(4-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197850
N'-[4-(2-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322874
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'-[2-chloro-4-(2-fluoro-5-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197712
N'-[2-chloro-5-methyl-3-[2-(trifluoromethoxy)anilino]phenyl]-N-ethyl-N-methylmethanimidamide
CID 154647620
N'-[2,5-dichloro-4-(2,5-dimethylanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197650
N'-[3-(2,4-difluoro-N-methylanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154648101
2-N-(2,4-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 115126629
N-ethyl-N'-[4-(3-fluoro-4-methylanilino)-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 146197724
N'-[3-(3-chloro-5-fluoroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154647865

Frequently Asked Questions

What is the IUPAC name of N'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 175171423) is N'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Cl)c(Nc2ccc(F)cc2F)c1.
What is the InChIKey of N'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is PMCOPIRGEZJHHR-UFFVCSGVSA-N. The full InChI is InChI=1S/C17H18ClF2N3/c1-4-23(3)10-21-13-7-11(2)17(18)16(9-13)22-15-6-5-12(19)8-14(15)20/h5-10,22H,4H2,1-3H3/b21-10+.
What are the key properties of N'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 337.80 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-chloro-3-(2,4-difluoroanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 175171423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).