N'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide

C19H20ClN3O — CID 146197821

IUPACN'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)c(Cc2cccc(C#N)c2)cc1Cl
InChIInChI=1S/C19H20ClN3O/c1-4-23(2)13-22-18-11-19(24-3)16(10-17(18)20)9-14-6-5-7-15(8-14)12-21/h5-8,10-11,13H,4,9H2,1-3H3/b22-13+
InChIKeyPAYPYYCWWQUNDS-LPYMAVHISA-N
MW341.84 g/mol
LogP4.42
Rot. Bonds6

About N'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide

N'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 146197821) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is N'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID146197821
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC NameN'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(OC)c(Cc2cccc(C#N)c2)cc1Cl
InChIInChI=1S/C19H20ClN3O/c1-4-23(2)13-22-18-11-19(24-3)16(10-17(18)20)9-14-6-5-7-15(8-14)12-21/h5-8,10-11,13H,4,9H2,1-3H3/b22-13+
InChIKeyPAYPYYCWWQUNDS-LPYMAVHISA-N
XLogP4.42
TPSA48.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'-[3-[(3-cyanophenyl)methyl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 154647984
(4-methylphenyl)methyl 5-chloro-4-[[ethyl(methyl)amino]methylideneamino]-2-methoxybenzoate
CID 155325203
3-[[(3,4-dimethoxyphenyl)methyl-ethylamino]methyl]benzonitrile
CID 32661982
3-[(4-methoxyphenyl)methyl]benzonitrile
CID 126697146
N'-[2-chloro-4-(4-fluoro-3-methoxyanilino)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142322849
N-ethyl-N'-[5-fluoro-2-methyl-3-[(3-nitrophenyl)methyl]phenyl]-N-methylmethanimidamide
CID 154647707
3-[[(R)-(3-chloro-4-methoxyphenyl)methylsulfinyl]methyl]benzonitrile
CID 99795021
3-[[(2-methoxy-5-methylphenyl)methyl-methylamino]methyl]benzonitrile
CID 51224116
3-[[2-methoxy-6-(methylaminomethyl)phenoxy]methyl]benzonitrile
CID 60888801
N'-[2-chloro-4-[[4-cyano-3-(2,4-dichlorophenyl)-1,2-thiazol-5-yl]oxy]-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 66690619
3-[[2-(2,5-dichlorophenoxy)ethyl-methylamino]methyl]benzonitrile
CID 112820101
3-[[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]methyl]benzonitrile
CID 104646106

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide (CID 146197821) is N'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(OC)c(Cc2cccc(C#N)c2)cc1Cl.
What is the InChIKey of N'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is PAYPYYCWWQUNDS-LPYMAVHISA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-4-23(2)13-22-18-11-19(24-3)16(10-17(18)20)9-14-6-5-7-15(8-14)12-21/h5-8,10-11,13H,4,9H2,1-3H3/b22-13+.
What are the key properties of N'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 341.84 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-4-[(3-cyanophenyl)methyl]-5-methoxyphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 146197821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).