N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid

C19H23ClN2O2 — CID 118310253

IUPACN'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)c2ccccc2)cc1C.OCl
InChIInChI=1S/C19H22N2O.ClHO/c1-5-21(4)13-20-18-12-14(2)17(11-15(18)3)19(22)16-9-7-6-8-10-16;1-2/h6-13H,5H2,1-4H3;2H/b20-13+;
InChIKeyGIGIECLQZPSGFH-UNUAAEKOSA-N
MW346.86 g/mol
LogP4.28
Rot. Bonds5

About N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid

N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid (PubChem CID 118310253) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid.

Molecular Properties

Compound NameN'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid
PubChem CID118310253
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC NameN'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid
SMILESCCN(C)/C=N/c1cc(C)c(C(=O)c2ccccc2)cc1C.OCl
InChIInChI=1S/C19H22N2O.ClHO/c1-5-21(4)13-20-18-12-14(2)17(11-15(18)3)19(22)16-9-7-6-8-10-16;1-2/h6-13H,5H2,1-4H3;2H/b20-13+;
InChIKeyGIGIECLQZPSGFH-UNUAAEKOSA-N
XLogP4.28
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.28
H-Bond Donors ≤ 51
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-ethyl-N'-[4-[2-(2-fluorophenoxy)acetyl]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 150453946
N'-[4-[2-(3-chloro-N-methylanilino)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142458820
2-phenylethyl 2-chloro-4-[[ethyl(methyl)amino]methylideneamino]-5-methylbenzoate
CID 155325361
4-[[ethyl(methyl)amino]methylideneamino]-N,2,5-trimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 163372580
(4-chloro-2-methylphenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate
CID 155325371
(4-pyridin-2-ylphenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate
CID 155324959
N'-[4-[2-(2-chloro-5-fluoro-N-methylanilino)acetyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135362603
N-ethyl-N'-[5-fluoro-4-[2-(2-fluorophenyl)sulfanylacetyl]-2-methylphenyl]-N-methylmethanimidamide
CID 135363420
N'-[4-[(2-cyanophenyl)methyl]-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 139558679
(4,5-difluoro-2-methoxyphenyl)methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate
CID 155324766
[4-(difluoromethoxy)phenyl]methyl 4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylbenzoate;oxalic acid
CID 172580439
4-[[ethyl(methyl)amino]methylideneamino]-N,2-dimethyl-5-(trifluoromethyl)benzamide
CID 163372679

Frequently Asked Questions

What is the IUPAC name of N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid?
The IUPAC name of N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid (CID 118310253) is N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid.
What is the SMILES notation for N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid?
The canonical SMILES for N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid is CCN(C)/C=N/c1cc(C)c(C(=O)c2ccccc2)cc1C.OCl.
What is the InChIKey of N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid?
The InChIKey is GIGIECLQZPSGFH-UNUAAEKOSA-N. The full InChI is InChI=1S/C19H22N2O.ClHO/c1-5-21(4)13-20-18-12-14(2)17(11-15(18)3)19(22)16-9-7-6-8-10-16;1-2/h6-13H,5H2,1-4H3;2H/b20-13+;.
What are the key properties of N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid?
N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid has a molecular weight of 346.86 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-benzoyl-2,5-dimethylphenyl)-N-ethyl-N-methylmethanimidamide;hypochlorous acid is sourced from PubChem (CID 118310253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).