N'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide

C20H25ClN4 — CID 154017909

IUPACN'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Nc2ccc3c(c2)CCN3C)cc1Cl
InChIInChI=1S/C20H25ClN4/c1-5-24(3)13-22-19-10-14(2)18(12-17(19)21)23-16-6-7-20-15(11-16)8-9-25(20)4/h6-7,10-13,23H,5,8-9H2,1-4H3/b22-13+
InChIKeyOEYZMXLZLNRHIJ-LPYMAVHISA-N
MW356.90 g/mol
LogP5.00
Rot. Bonds5

About N'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide

N'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 154017909) has the molecular formula C20H25ClN4 and a molecular weight of 356.90 g/mol. Its IUPAC name is N'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID154017909
Molecular FormulaC20H25ClN4
Molecular Weight356.90 g/mol
Exact Mass356.18
IUPAC NameN'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Nc2ccc3c(c2)CCN3C)cc1Cl
InChIInChI=1S/C20H25ClN4/c1-5-24(3)13-22-19-10-14(2)18(12-17(19)21)23-16-6-7-20-15(11-16)8-9-25(20)4/h6-7,10-13,23H,5,8-9H2,1-4H3/b22-13+
InChIKeyOEYZMXLZLNRHIJ-LPYMAVHISA-N
XLogP5.00
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[2-chloro-4-(2-fluoro-5-methylanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197712
N'-[4-(4-chloroanilino)-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197850
5-[2,5-dichloro-4-[[ethyl(methyl)amino]methylideneamino]anilino]-2-propan-2-ylsulfanylbenzoic acid
CID 146197939
N'-[2,5-dichloro-4-(2,4-difluoroanilino)phenyl]-N-ethyl-N-methylmethanimidamide
CID 146197861
N'-[4-[4-(difluoromethylsulfanyl)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322828
N-ethyl-1-methyl-2,3-dihydroindol-5-amine
CID 82539913
N'-[2-chloro-4-[(2-fluorophenyl)methylsulfonylamino]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146197895
N'-[2-chloro-4-(2-fluorophenyl)sulfanyl-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 162391810
N'-[4-[3-(difluoromethoxy)anilino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322836
N'-[4-[(4-chlorophenyl)methylamino]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 146381292
(1-methyl-2,3-dihydroindol-5-yl)hydrazine
CID 116997170
N'-[2-chloro-4-[2-(4-chlorophenoxy)acetyl]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135362957

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide (CID 154017909) is N'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Nc2ccc3c(c2)CCN3C)cc1Cl.
What is the InChIKey of N'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is OEYZMXLZLNRHIJ-LPYMAVHISA-N. The full InChI is InChI=1S/C20H25ClN4/c1-5-24(3)13-22-19-10-14(2)18(12-17(19)21)23-16-6-7-20-15(11-16)8-9-25(20)4/h6-7,10-13,23H,5,8-9H2,1-4H3/b22-13+.
What are the key properties of N'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 356.90 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-5-methyl-4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 154017909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).