N-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane

C18H23Cl2N3 — CID 143835693

IUPACN-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane
SMILESC/N=C(\C)NC(Cc1ccncc1)c1cccc(Cl)c1Cl.CC
InChIInChI=1S/C16H17Cl2N3.C2H6/c1-11(19-2)21-15(10-12-6-8-20-9-7-12)13-4-3-5-14(17)16(13)18;1-2/h3-9,15H,10H2,1-2H3,(H,19,21);1-2H3
InChIKeyQYPPUXNGXKHZBL-UHFFFAOYSA-N
MW352.31 g/mol
LogP5.34
Rot. Bonds4

About N-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane

N-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane (PubChem CID 143835693) has the molecular formula C18H23Cl2N3 and a molecular weight of 352.31 g/mol. Its IUPAC name is N-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane.

Molecular Properties

Compound NameN-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane
PubChem CID143835693
Molecular FormulaC18H23Cl2N3
Molecular Weight352.31 g/mol
Exact Mass351.13
IUPAC NameN-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane
SMILESC/N=C(\C)NC(Cc1ccncc1)c1cccc(Cl)c1Cl.CC
InChIInChI=1S/C16H17Cl2N3.C2H6/c1-11(19-2)21-15(10-12-6-8-20-9-7-12)13-4-3-5-14(17)16(13)18;1-2/h3-9,15H,10H2,1-2H3,(H,19,21);1-2H3
InChIKeyQYPPUXNGXKHZBL-UHFFFAOYSA-N
XLogP5.34
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.31
LogP ≤ 55.34
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

[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105212439
(1R)-1-(2,3-dichlorophenyl)-2-pyridin-4-ylethanol
CID 129368105
4-[2-(2,3-dichlorophenyl)propyl]pyridine
CID 143835492
[1-(2-chloro-3-methylphenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105317566
N-[1-(3-chloro-2-methylphenyl)-2-pyridin-4-ylethyl]propan-1-amine
CID 107097272
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 81454386
1-(2,3-dichlorophenyl)-N-ethyl-2-pyridin-3-ylethanamine
CID 62791096
[1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylethyl]hydrazine
CID 105223440
N-[2-(4-chlorophenyl)-1-(2,3-dichlorophenyl)ethyl]propan-1-amine
CID 63412651
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
N-[(2,3-dichlorophenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 62790171
N-[1-(2,3-dichlorophenyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 115821504

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane?
The IUPAC name of N-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane (CID 143835693) is N-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane.
What is the SMILES notation for N-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane?
The canonical SMILES for N-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane is C/N=C(\C)NC(Cc1ccncc1)c1cccc(Cl)c1Cl.CC.
What is the InChIKey of N-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane?
The InChIKey is QYPPUXNGXKHZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3.C2H6/c1-11(19-2)21-15(10-12-6-8-20-9-7-12)13-4-3-5-14(17)16(13)18;1-2/h3-9,15H,10H2,1-2H3,(H,19,21);1-2H3.
What are the key properties of N-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane?
N-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane has a molecular weight of 352.31 g/mol, XLogP of 5.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dichlorophenyl)-2-pyridin-4-ylethyl]-N'-methylethanimidamide;ethane is sourced from PubChem (CID 143835693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).