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

C18H20ClF2N3 — CID 154648071

IUPACN'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)cc(N(C)c2ccc(F)c(F)c2)c1Cl
InChIInChI=1S/C18H20ClF2N3/c1-5-23(3)11-22-16-8-12(2)9-17(18(16)19)24(4)13-6-7-14(20)15(21)10-13/h6-11H,5H2,1-4H3/b22-11+
InChIKeyPGGLVFUNZVIOFO-SSDVNMTOSA-N
MW351.83 g/mol
LogP5.31
Rot. Bonds5

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

N'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 154648071) has the molecular formula C18H20ClF2N3 and a molecular weight of 351.83 g/mol. Its IUPAC name is N'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID154648071
Molecular FormulaC18H20ClF2N3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC NameN'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)cc(N(C)c2ccc(F)c(F)c2)c1Cl
InChIInChI=1S/C18H20ClF2N3/c1-5-23(3)11-22-16-8-12(2)9-17(18(16)19)24(4)13-6-7-14(20)15(21)10-13/h6-11H,5H2,1-4H3/b22-11+
InChIKeyPGGLVFUNZVIOFO-SSDVNMTOSA-N
XLogP5.31
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.83
LogP ≤ 55.31
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'}

Analyze N'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 154648071) is N'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)cc(N(C)c2ccc(F)c(F)c2)c1Cl.
What is the InChIKey of N'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is PGGLVFUNZVIOFO-SSDVNMTOSA-N. The full InChI is InChI=1S/C18H20ClF2N3/c1-5-23(3)11-22-16-8-12(2)9-17(18(16)19)24(4)13-6-7-14(20)15(21)10-13/h6-11H,5H2,1-4H3/b22-11+.
What are the key properties of N'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 351.83 g/mol, XLogP of 5.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-3-(3,4-difluoro-N-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 154648071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).